data_1wjn_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wjn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.49 132.39 34.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -110.7 102.54 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.06 174.74 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -118.39 128.54 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.98 132.54 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -148.23 118.75 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.594 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 5.6 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -117.11 172.98 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.48 128.53 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -126.89 135.28 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' C ' HD23 ' A' ' 29' ' ' LEU . 83.2 mt-30 -102.98 116.75 33.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -132.26 146.9 63.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 127.02 14.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.79 -26.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -66.17 -40.07 90.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttt -39.89 135.22 1.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' GLN . 32.4 p -86.55 133.06 33.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.451 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 18.8 t -36.67 -32.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.6 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -55.72 -47.71 76.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.8 -39.15 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 74.1 mttt -72.86 -38.09 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 50' ' ' VAL . . . -70.6 -29.09 70.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.46 -43.2 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mt -82.64 -23.67 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -49.57 -45.17 47.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -72.38 -21.92 61.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.8 mt -76.13 -63.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' CZ3' ' A' ' 91' ' ' TRP . 16.5 mt -83.32 13.89 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.76 31.89 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 22.3 t -110.61 136.83 20.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 133.02 24.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG2' ' HA2' ' A' ' 40' ' ' GLY . 52.4 t -44.15 -23.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -70.45 -44.14 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 50.8 mt-10 -87.62 6.68 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.17 92.34 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -92.42 106.05 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -87.52 132.9 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.3 p -138.71 121.59 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -100.45 145.05 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -100.27 113.49 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -76.16 117.47 17.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -49.71 -58.1 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -40.47 -40.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpp -117.35 86.81 22.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.91 47.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.72 77.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -152.92 121.08 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 31.9 mp0 -109.15 146.11 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.41 ' N ' HD11 ' A' ' 67' ' ' ILE . 5.2 mp -109.0 109.35 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.65 107.58 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 15.9 mt -72.38 102.15 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -87.1 -27.66 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.48 124.09 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -95.16 -36.07 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.83 -6.77 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.14 136.96 22.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 178.35 4.65 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.7 mm? -75.91 -33.07 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.17 -20.56 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.83 -27.73 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.541 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 84.7 m-85 -98.98 24.6 7.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t 53.14 37.83 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.09 118.59 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -127.7 154.23 45.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.6 143.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.27 10.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.55 178.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.5 m -125.65 129.65 50.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.7 132.32 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.72 115.7 23.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.98 110.18 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 91' ' ' TRP . 0.0 OUTLIER -121.81 141.56 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 23.2 p90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' C ' HD22 ' A' ' 10' ' ' LEU . 1.9 mp -79.55 130.23 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -104.96 140.68 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.3 m -95.34 101.75 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' CG ' ' A' ' 87' ' ' LEU . 8.4 mt -120.86 176.44 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -121.52 124.94 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.1 127.85 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -139.36 114.7 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 25' ' ' LEU . 27.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' N ' HG21 ' A' ' 24' ' ' ILE . 8.8 mt -134.81 166.16 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.65 114.76 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -126.63 147.8 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 42.8 mt-30 -117.5 117.1 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -126.43 148.83 65.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.37 14.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -49.31 -24.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 1.9 ttp -48.94 125.1 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 p -70.85 146.4 49.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.01 -35.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -60.01 -46.98 87.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.62 -36.14 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' CG ' HD21 ' A' ' 55' ' ' LEU . 72.0 mttt -73.04 -36.22 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.6 68.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.39 -41.22 85.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.29 -22.81 30.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -53.53 -44.68 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -74.22 -24.23 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.47 -60.35 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 mt -88.86 15.25 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.86 41.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 87.5 t -112.77 138.69 22.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.4 Cg_endo -69.72 127.68 14.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.6 t -49.93 -23.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 t -68.09 -45.71 73.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.84 -30.59 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.02 149.7 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -144.02 110.91 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.437 HD21 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -94.17 132.0 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -141.6 117.03 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.8 p90 -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -105.88 111.83 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 m -64.54 120.06 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -48.75 -63.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.31 85.19 15.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.03 41.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.54 -31.66 6.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -91.0 93.54 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -85.01 148.36 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.6 mp -105.72 114.75 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.72 103.32 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 79' ' ' TYR . 12.4 mt -69.09 109.64 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.9 -17.86 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.465 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -93.67 -30.65 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -84.22 34.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.465 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 76.7 mm-40 -137.93 139.15 25.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.629 2.22 . . . . 0.0 112.376 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -61.95 -25.18 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.76 -27.96 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CD1' HD21 ' A' ' 69' ' ' LEU . 80.4 m-85 -97.63 18.42 15.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m 61.21 31.53 19.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -80.81 124.2 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -127.13 157.32 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.72 141.99 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.48 -19.15 46.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -70.82 168.32 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 99.0 m -112.92 133.94 54.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CG ' HD13 ' A' ' 12' ' ' LEU . 89.7 mt -97.28 123.94 41.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.45 107.27 17.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.32 124.41 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -135.94 175.4 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.4 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 10' ' ' LEU . 1.9 mp -80.36 129.53 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD21 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -108.08 142.49 38.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.6 m -92.72 106.88 18.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.0 151.54 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -101.11 120.03 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.91 123.38 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -132.32 130.46 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.873 0.368 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -115.91 160.0 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -117.79 133.59 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.08 136.88 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' C ' HD21 ' A' ' 29' ' ' LEU . 48.5 mt-30 -102.72 121.27 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 28' ' ' GLN . 1.9 mm? -123.29 145.26 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.297 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.3 p30 -40.57 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' PRO . 27.9 t -65.1 -45.44 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -39.8 122.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -71.99 142.65 49.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -42.6 -28.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -68.18 -41.44 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.72 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.32 -44.57 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' CG ' HD21 ' A' ' 55' ' ' LEU . 60.0 mttt -70.13 -29.13 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.27 -16.66 77.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -77.39 -44.07 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.93 -18.19 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -53.87 -43.73 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -72.4 -21.73 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.86 -64.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.415 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 18.6 mt -78.44 8.08 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 1.8 mppt? 51.62 37.08 18.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 98.0 t -113.13 138.88 22.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.76 131.52 21.41 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 t -50.74 -23.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -69.25 -42.79 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.94 -18.87 35.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 48' ' ' VAL . 19.1 mt -73.31 120.93 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.12 111.33 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.27 141.14 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -145.42 120.15 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -100.64 141.59 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -102.36 112.21 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -69.47 114.96 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -51.32 -55.78 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -44.77 -41.46 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.21 82.22 7.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.68 69.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 26.96 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -152.94 136.03 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -124.31 141.32 52.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.3 mp -108.1 104.85 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.84 105.22 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 79' ' ' TYR . 16.4 mt -65.21 96.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.43 -57.94 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -56.56 123.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.55 -27.7 15.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.73 24.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 71.7 mm-40 -126.78 140.78 38.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.84 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.3 mm? -68.89 -33.37 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.37 -25.42 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -70.54 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 69' ' ' LEU . 53.0 m-85 -104.26 16.15 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.0 t 58.89 46.69 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -100.42 126.46 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.54 160.16 36.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -47.89 141.25 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.34 -38.93 3.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -54.9 172.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -116.96 147.84 41.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -105.07 122.36 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -109.92 105.68 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.5 124.64 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -159.32 139.53 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.3 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -86.81 134.79 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.68 148.47 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -103.7 101.37 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -125.69 161.91 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -108.06 133.23 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.61 120.43 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -133.49 111.39 10.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.838 0.351 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.62 -178.77 5.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -145.9 114.37 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -125.09 153.16 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' C ' HD21 ' A' ' 29' ' ' LEU . 52.9 mt-30 -113.67 119.32 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 1.6 mm? -131.45 150.95 77.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.25 8.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -43.2 -24.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.7 ttp -41.25 111.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 p -62.34 142.96 57.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -43.3 -27.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -67.36 -49.98 61.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -56.01 -54.08 49.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.05 -40.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' CG ' HD23 ' A' ' 55' ' ' LEU . 67.4 mttt -70.39 -30.29 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.67 -4.53 87.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 tp -86.87 -42.76 12.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.01 -20.99 23.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -44.92 -45.12 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.407 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -76.13 -34.31 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 45' ' ' LEU . 10.2 mp -62.09 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.19 8.56 12.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? 49.38 51.88 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 85.8 t -126.97 138.7 33.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.72 123.91 10.58 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.1 t -41.84 -27.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -65.36 -43.49 90.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -81.53 -19.65 41.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.75 134.71 46.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.1 109.65 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD21 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -87.6 129.8 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -139.4 119.81 13.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.8 p90 -98.36 149.35 22.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.91 126.49 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -81.32 147.45 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 p -78.38 -47.37 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -52.2 -27.02 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -131.67 82.34 61.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.72 61.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.14 22.53 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -151.03 116.17 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CD ' ' C ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -110.42 156.74 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.554 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.1 mp -113.44 107.26 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.81 108.79 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.23 104.65 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.74 -34.45 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.05 109.78 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -13.21 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.8 mt -101.7 19.99 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -128.76 141.29 41.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.74 10.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -70.97 -34.65 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.56 -30.53 71.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.99 -14.51 16.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -111.53 24.1 13.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t 57.01 27.49 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -81.26 117.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -125.92 165.15 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.16 137.07 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.97 -37.46 3.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.12 170.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.0 m -111.95 147.61 35.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.94 129.14 54.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.23 107.03 14.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.45 108.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 18.1 ttm180 -128.72 152.07 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.454 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.1 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.91 133.4 43.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.02 128.51 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 m -86.18 101.12 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 9.4 mt -118.44 172.02 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -119.92 123.65 44.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.09 123.54 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -139.37 107.12 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 2.0 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 25' ' ' LEU . 63.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -104.91 169.5 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.44 113.96 18.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.28 133.05 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' C ' HD22 ' A' ' 29' ' ' LEU . 36.5 mt-30 -106.68 121.3 44.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.71 143.38 48.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.77 122.79 9.46 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.61 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' PRO . 25.5 t -65.32 -45.16 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.2 ttp -40.93 129.12 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -74.46 138.84 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.22 -31.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.77 -46.05 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.69 -48.18 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.09 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 23.9 mttt -47.64 -31.11 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.25 -31.14 59.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.42 -48.54 78.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' LEU . 6.6 mt -81.34 -37.03 28.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' CA ' ' A' ' 47' ' ' LYS . 3.4 t -38.1 -42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -76.23 -36.44 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.6 mp -61.65 -58.01 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD12 ' CZ3' ' A' ' 91' ' ' TRP . 13.4 mt -90.5 -0.12 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CA ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 60.63 32.24 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 84.6 t -101.15 138.71 20.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.1 Cg_endo -69.74 131.99 22.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.28 -22.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -63.24 -47.62 81.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -81.9 -35.32 29.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.35 142.89 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 90' ' ' ARG . 72.9 mt -138.14 111.37 7.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm? -93.25 130.09 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -142.92 117.46 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -96.83 141.21 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -104.86 119.81 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.9 p -68.93 123.39 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -52.45 -53.54 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.79 -32.0 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 ttt -127.58 85.09 61.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.61 59.77 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -44.48 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -79.91 112.06 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.39 147.28 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 67' ' ' ILE . 4.5 mp -112.52 120.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 113.85 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 79' ' ' TYR . 15.1 mt -75.46 94.26 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.47 -15.73 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.29 101.18 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -37.77 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.61 -9.98 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -96.28 142.1 24.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.53 0.681 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.63 -36.28 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -60.43 -34.22 73.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.26 -28.6 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 69' ' ' LEU . 67.0 m-85 -99.75 27.43 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t 51.63 25.74 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 82.2 t -79.45 136.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.43 171.3 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -57.7 140.92 50.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.23 -38.49 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 9.9 m-20 -49.2 176.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 94.5 m -120.03 136.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.88 126.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.9 mt -115.08 107.62 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 42' ' ' LEU . 96.2 t -92.78 146.95 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' LEU . 47.3 ttp180 -159.08 143.8 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.525 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 33.0 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.2 mp -85.91 134.74 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.35 150.87 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -106.72 98.52 8.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.61 173.61 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -119.52 136.03 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 15' ' ' LYS . 3.5 mp -100.77 132.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' HG22 ' A' ' 14' ' ' ILE . 4.8 tmtm? -155.83 132.7 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 173.36 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.47 121.63 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CG ' HD13 ' A' ' 29' ' ' LEU . 15.7 tptp -127.88 147.06 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' C ' HD22 ' A' ' 9' ' ' LEU . 64.9 mt-30 -113.23 117.72 32.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -130.34 150.0 74.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.82 9.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.11 -24.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -65.52 -42.54 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.499 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -43.95 123.6 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -71.02 141.4 50.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.3 t -42.32 -42.24 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.38 -41.77 69.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.57 -38.69 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -69.98 -36.88 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.01 -28.02 72.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.74 -39.77 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LEU . 23.2 mt -93.6 -22.91 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -45.94 -30.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -88.61 -24.78 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.7 mm? -72.19 -54.56 9.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.13 -4.86 57.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.38 35.25 9.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 92.3 t -110.79 138.77 21.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.79 126.69 13.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.6 t -40.72 -25.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -68.7 -44.0 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 78.5 mt-10 -83.88 -6.76 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.87 104.93 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.05 103.47 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.54 123.24 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -127.54 118.51 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -95.81 145.58 25.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -107.59 108.72 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 p -56.2 147.74 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -82.62 9.27 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -113.02 -26.35 8.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.6 mmt -123.62 85.85 52.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 129.15 17.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -8.3 63.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -114.43 114.54 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.29 139.55 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.54 125.8 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.38 111.2 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 79' ' ' TYR . 10.6 mt -73.0 87.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.13 -25.19 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.25 119.92 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.47 -21.59 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.77 -10.14 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -97.08 140.34 22.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -79.97 -30.3 39.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -69.29 -25.46 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.5 -26.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' HD21 ' A' ' 69' ' ' LEU . 80.3 m-85 -97.04 17.42 17.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 t 60.08 26.64 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.16 122.28 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -122.59 166.71 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.86 132.19 45.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.84 -34.83 4.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 179.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.07 155.09 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.29 121.59 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.34 118.17 36.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.93 107.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -139.34 142.73 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 33.2 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mp -81.81 133.61 35.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -102.51 150.75 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -106.48 105.39 15.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 87' ' ' LEU . 5.2 mt -129.51 169.6 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -115.7 130.46 56.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.49 127.04 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -148.03 120.44 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.894 0.378 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -130.39 174.22 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -134.79 125.71 27.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -134.66 146.19 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' C ' HD22 ' A' ' 29' ' ' LEU . 62.1 mt-30 -109.15 120.66 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -134.42 146.56 59.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -50.26 -20.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -36.13 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.8 ttp -51.89 127.2 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.0 p -69.61 135.35 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -38.19 -37.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -56.84 -49.05 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -54.57 -47.47 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.43 -37.2 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 77.7 mttt -69.93 -35.97 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.1 -22.71 78.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -68.17 -38.61 82.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.1 mt -85.29 -37.39 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . 6.8 t -37.45 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -72.38 -42.34 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.3 tp -67.04 -50.46 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 14.44 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mptt 38.74 35.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 90.3 t -108.11 138.7 20.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.82 125.4 12.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.3 t -45.35 -24.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.2 p -68.75 -41.0 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.6 -13.3 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.57 147.53 37.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' ARG . 29.4 mt -141.8 109.29 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.4 mm? -89.58 126.76 35.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.83 121.79 18.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.5 p90 -99.3 145.46 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -106.41 117.87 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -66.19 121.33 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.7 p -52.94 -33.52 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -72.62 -28.54 62.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.8 tpp -127.12 81.25 70.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.693 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.91 36.59 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.14 -21.34 45.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -106.69 85.62 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.09 138.54 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.409 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.5 mp -92.74 130.86 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 9.0 mp0 -79.8 119.44 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.623 ' CD2' ' CG ' ' A' ' 79' ' ' TYR . 17.3 mt -85.49 74.88 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.34 -49.58 54.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -63.91 106.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -38.43 31.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 73' ' ' LEU . 5.2 mp -62.25 -18.09 60.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -88.25 138.12 30.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 179.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -77.25 -30.02 54.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 17.3 tp60 -66.78 -27.39 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.87 -27.12 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.623 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 52.7 m-85 -94.85 19.31 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t 55.5 38.45 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.2 t -92.86 118.98 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -124.81 164.55 19.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -52.52 134.98 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.23 -36.42 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.21 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.7 m -128.74 123.31 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD1' HD11 ' A' ' 12' ' ' LEU . 91.8 mt -86.05 124.54 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.51 109.09 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.9 t -90.64 108.8 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LEU . 46.6 ttp180 -127.55 155.88 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.404 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.8 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.521 ' CD1' ' CA ' ' A' ' 29' ' ' LEU . 3.6 mm? -74.01 144.1 45.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -116.78 122.01 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.433 ' OG1' ' NE2' ' A' ' 28' ' ' GLN . 24.0 m -81.46 102.42 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 19.7 mt -121.67 155.62 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -103.37 123.58 47.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.03 116.32 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -126.31 126.53 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 25' ' ' LEU . 14.3 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.911 0.386 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' N ' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -119.88 155.15 33.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.43 121.62 32.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CG ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -137.74 148.51 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.471 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 8.2 mt-30 -117.43 121.3 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -131.5 152.22 80.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' N ' HD11 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' CB ' HD11 ' A' ' 10' ' ' LEU . 5.7 p-10 -45.97 -20.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -66.17 -42.12 89.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 ttp -46.31 130.96 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -74.18 141.45 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.457 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 82.3 t -42.52 -34.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -57.74 -44.36 86.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -63.79 -48.38 77.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.57 -37.36 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 90.2 mttt -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -71.11 -32.69 65.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.02 -42.7 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -87.14 -20.96 26.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -50.64 -30.31 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -87.08 -19.95 27.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.16 -56.32 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 14.2 mt -89.57 8.54 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.53 38.25 29.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 21.7 t -120.13 136.85 25.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.79 136.19 32.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 40' ' ' GLY . 25.3 t -46.58 -23.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -72.8 -42.28 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.65 15.04 15.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.9 101.73 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 91' ' ' TRP . 0.1 OUTLIER -95.43 102.11 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.66 118.13 28.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.6 p -123.84 119.84 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -96.14 143.59 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.9 127.2 48.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -64.98 140.64 58.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 p -77.98 -41.79 34.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -70.76 -20.89 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.41 ' CB ' ' HD2' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -133.55 86.05 41.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.848 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.22 20.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.01 25.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -99.75 119.48 38.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.3 pp20? -114.98 154.46 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.1 mp -121.63 115.26 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.96 106.68 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 79' ' ' TYR . 12.3 mt -71.4 117.03 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.33 0.32 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -106.54 97.44 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.52 -15.92 58.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -93.95 19.47 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -130.15 142.84 46.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.27 3.8 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 -31.29 48.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.34 -23.67 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.7 -10.84 59.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CE1' HD23 ' A' ' 69' ' ' LEU . 41.4 m-85 -110.56 4.96 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 t 71.61 26.72 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.9 t -80.61 114.71 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -118.04 166.12 12.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.9 136.56 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.43 -29.25 10.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.463 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 1.2 m-20 -57.1 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -126.55 141.87 51.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 130.8 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.58 108.71 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' CD1' ' A' ' 46' ' ' LEU . 25.1 t -88.92 133.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -146.05 162.49 37.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 35.5 p90 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 29' ' ' LEU . 2.4 mm? -66.17 141.95 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.57 119.81 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -78.73 105.86 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 87' ' ' LEU . 11.5 mt -126.24 174.5 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -120.03 116.08 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.84 126.61 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -145.02 115.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.864 0.364 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.71 -174.97 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -143.46 116.55 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -130.49 135.34 47.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' C ' HD21 ' A' ' 29' ' ' LEU . 8.3 mt-30 -100.32 121.46 41.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 1.3 mm? -133.26 146.48 61.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.62 10.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -43.56 -25.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -65.01 -42.71 94.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.444 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.8 ttp -40.99 112.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -58.87 139.04 57.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 70.7 t -41.27 -33.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.53 -46.59 82.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 1.5 mmmp? -55.05 -52.89 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.13 -40.99 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 71.7 mttt -65.74 -43.51 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.73 75.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.05 -34.26 77.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.76 -26.76 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -51.31 -38.58 53.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -85.05 -8.96 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -90.77 -53.97 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD11 ' CZ3' ' A' ' 91' ' ' TRP . 29.5 mt -91.81 7.01 43.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 57.03 39.43 29.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 21.2 t -120.22 136.76 25.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.76 132.57 23.62 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -48.57 -22.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.0 p -69.56 -42.65 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -82.92 -21.62 34.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.31 129.36 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.7 mt -124.11 102.72 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.24 128.84 35.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -137.55 123.78 20.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -98.88 144.1 28.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 114.77 28.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.9 p -67.06 112.05 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.6 t -46.07 -58.34 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -41.48 -42.16 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 tpp -116.86 84.61 16.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.83 19.76 78.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -148.09 120.64 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.485 ' CD ' ' C ' ' A' ' 66' ' ' GLU . 1.2 pp20? -108.07 155.26 20.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.92 116.74 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.84 116.55 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 79' ' ' TYR . 6.3 mt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.47 -34.45 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -70.1 120.76 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -29.34 12.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.11 -4.24 56.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -101.5 141.64 23.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 179.03 4.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -76.31 -34.66 59.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.44 -26.22 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -30.68 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CD2' HD22 ' A' ' 69' ' ' LEU . 63.1 m-85 -96.35 25.49 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m 54.73 41.52 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.0 t -90.48 131.45 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -131.99 -174.59 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.56 140.55 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.03 -37.4 3.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.7 OUTLIER -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 88.6 m -105.07 140.95 37.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 12' ' ' LEU . 69.7 mt -105.44 122.48 46.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -112.3 114.04 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.3 t -102.41 97.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 152.43 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CZ3' HD11 ' A' ' 46' ' ' LEU . 24.3 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mp -82.24 132.15 35.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.69 139.73 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -97.39 94.01 6.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -112.86 160.9 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -105.59 126.71 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.41 117.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -132.92 103.38 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 25' ' ' LEU . 44.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -130.72 179.73 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -138.19 122.65 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -128.08 137.81 52.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' C ' HD21 ' A' ' 29' ' ' LEU . 54.6 mt-30 -102.46 114.46 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -127.24 151.28 74.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -44.49 -24.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -66.0 -41.1 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.465 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -43.96 120.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 p -69.49 141.41 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.57 -43.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -55.18 -46.51 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -55.69 -53.07 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.07 -38.21 52.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 65.8 mttt -69.56 -41.13 76.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.28 -21.46 68.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.04 -45.65 48.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.25 -17.79 44.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -62.58 -36.74 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -74.02 -21.68 59.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.23 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -70.49 -1.11 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 35.63 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 97.5 t -118.08 138.89 25.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.8 130.41 19.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.3 t -47.63 -21.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 t -68.41 -42.6 78.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.73 -18.28 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.7 mt -72.57 139.4 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -134.5 112.27 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -92.16 123.58 35.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 p -132.27 119.18 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -98.75 139.71 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.59 109.45 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -65.55 145.87 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 p -79.4 -22.1 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -74.93 -31.04 61.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpp -126.95 84.55 63.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.92 24.53 71.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -153.8 132.08 11.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.83 144.93 48.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.77 111.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.54 110.34 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 79' ' ' TYR . 10.8 mt -77.19 99.54 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -93.15 -35.11 13.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -71.06 92.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.6 -26.54 64.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.56 30.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.455 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 73.8 mm-40 -138.0 140.56 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.294 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -68.97 -35.15 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.485 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -61.85 -35.51 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.0 -11.66 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD2' HD23 ' A' ' 69' ' ' LEU . 33.0 m-85 -110.58 17.32 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.3 t 63.62 29.09 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.0 t -82.78 116.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -118.79 168.42 10.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 6.3 p-10 -60.2 137.79 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.2 -30.43 9.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.0 177.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.1 m -112.79 160.4 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.8 mt -126.19 120.99 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.33 106.68 16.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.5 t -94.49 98.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -125.44 155.81 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 49.0 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.67 135.24 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.63 148.04 29.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 m -101.62 104.31 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.07 160.61 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -106.99 125.56 51.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.2 122.75 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -138.44 115.06 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.9 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp -123.31 171.75 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -129.58 122.42 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -128.25 136.03 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -104.42 118.87 37.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -132.49 146.45 61.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.955 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.8 10.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -44.64 -23.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -64.83 -40.88 95.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.5 ttp -47.95 116.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 p -65.42 141.55 58.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.2 t -38.45 -32.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.85 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CE ' ' HG3' ' A' ' 33' ' ' MET . 14.4 mtmm -49.74 -42.58 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.72 -42.66 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -68.71 -42.72 77.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.79 -24.5 66.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.88 -57.49 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt -74.56 -21.54 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 t -50.01 -39.91 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.05 -19.81 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.431 ' N ' HD11 ' A' ' 45' ' ' LEU . 10.9 mp -75.37 -63.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 91' ' ' TRP . 10.5 mt -84.54 10.3 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 51.15 44.84 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 89.8 t -118.72 138.64 26.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.77 128.06 15.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -44.5 -24.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -70.26 -43.04 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -84.4 -3.47 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.05 128.24 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.12 103.78 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.92 137.52 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -145.12 120.61 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.414 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -99.9 144.49 28.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -101.11 114.81 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p -51.83 150.0 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.2 p -84.33 -1.2 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -26.54 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.3 tpp -115.69 78.44 6.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.74 31.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.62 -21.34 45.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -111.9 115.85 29.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.69 145.26 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.414 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -100.93 102.52 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' CD ' ' O ' ' A' ' 68' ' ' GLU . 2.2 pp20? -66.23 112.93 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -78.08 113.52 16.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.83 -25.17 13.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.25 100.75 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -2.56 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 mt -105.23 11.94 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -123.1 142.59 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.51 9.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.3 mm? -72.2 -34.03 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.01 -24.6 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -66.99 -16.93 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -105.53 20.65 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t 58.77 29.14 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -80.14 128.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.3 157.25 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -42.89 137.13 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.45 -43.86 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.21 170.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.9 m -117.77 143.16 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.0 mt -105.62 126.11 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.59 111.64 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.47 126.21 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 55.4 ttt180 -148.36 155.12 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 46' ' ' LEU . 49.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -82.1 136.16 35.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.43 144.63 37.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.3 m -94.75 109.34 21.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 3.6 mt -130.87 164.77 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -108.19 126.78 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.86 124.2 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -132.73 98.0 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 166.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -131.5 114.83 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' CD ' HD12 ' A' ' 29' ' ' LEU . 6.0 tmtm? -126.9 136.91 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' C ' HD22 ' A' ' 9' ' ' LEU . 61.4 mt-30 -96.0 124.42 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 27' ' ' LYS . 2.5 mm? -128.51 144.16 51.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.0 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -43.21 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' PRO . 15.7 t -66.73 -42.92 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -43.36 127.42 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' LYS . 40.2 p -74.19 135.86 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.89 -36.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -59.82 -43.13 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 17.6 mmmt -58.99 -51.52 69.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 t -50.35 -41.33 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 76.0 mttt -70.9 -39.25 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.46 -26.61 74.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.453 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.79 -57.56 11.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.7 mt -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -43.39 -47.58 6.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -69.28 -25.46 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' LEU . 5.8 mp -77.76 -62.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.522 HD12 ' CZ3' ' A' ' 91' ' ' TRP . 29.8 mt -77.87 7.42 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.2 37.12 17.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 47.1 t -113.05 137.52 21.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.81 135.66 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -57.83 -29.21 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -65.29 -17.98 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -106.12 -29.15 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.26 122.53 16.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.1 mt -114.58 108.49 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.8 mm? -89.05 128.18 35.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 p -138.14 116.23 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -95.7 141.75 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.26 125.51 48.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -70.42 120.08 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 m -61.97 -28.65 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -82.78 -20.38 35.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpt -130.52 84.52 58.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.43 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.31 66.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -158.63 118.79 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 17.0 mp0 -115.62 151.34 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.72 106.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.61 110.0 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 79' ' ' TYR . 13.8 mt -73.21 89.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 14.3 pt-20 -73.34 -50.46 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' CG ' ' HG2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -70.07 113.96 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -82.98 -43.65 16.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -57.92 -20.6 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.418 ' HG2' ' CG ' ' A' ' 71' ' ' ASN . 42.0 mm-40 -81.87 134.63 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.23 17.04 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -33.33 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -65.21 -25.43 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.7 -14.26 62.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CD1' HD21 ' A' ' 69' ' ' LEU . 49.5 m-85 -109.01 11.76 25.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m 62.39 49.95 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.81 120.73 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.72 160.42 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -46.9 131.98 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.6 8.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.44 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 55.3 m-20 -62.03 168.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 62.3 m -115.2 131.41 56.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.11 130.13 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.06 111.28 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.3 t -96.13 120.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -132.78 173.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.522 ' CZ3' HD12 ' A' ' 46' ' ' LEU . 9.9 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -88.98 134.18 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.88 142.55 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 m -96.69 99.9 11.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -117.23 167.25 11.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -116.69 126.74 53.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.03 115.01 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 16' ' ' CYS . 5.4 tmtm? -129.56 130.96 46.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 86.1 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -119.54 176.94 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.06 125.85 40.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -129.4 144.24 51.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' C ' HD21 ' A' ' 29' ' ' LEU . 57.1 mt-30 -113.7 119.8 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -135.92 148.25 64.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.4 Cg_endo -69.79 124.23 10.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -43.98 -22.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 46.9 t -67.22 -41.78 85.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -46.36 116.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -62.5 146.54 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.25 -33.62 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.1 -48.0 83.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -58.7 -48.38 81.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.16 -38.3 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.6 -44.09 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.68 -25.1 67.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.31 -50.58 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.78 -29.96 51.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -46.23 -41.63 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -73.04 -26.5 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 45' ' ' LEU . 10.8 mp -75.53 -61.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.5 7.94 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 52.63 28.82 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 74.2 t -100.64 138.22 20.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 0.0 111.17 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.74 128.01 15.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -46.51 -27.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -62.51 -45.99 90.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -79.89 -40.73 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.29 104.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.0 mt -100.76 104.18 15.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.66 133.52 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 p -144.7 118.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -96.39 144.58 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -105.09 123.12 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -73.19 121.38 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.3 p -58.36 -48.95 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -19.23 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ttm -133.19 83.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.541 0.686 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.68 18.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.83 30.86 6.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -157.32 127.2 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.46 148.59 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.15 122.57 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.39 119.96 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 79' ' ' TYR . 13.0 mt -81.92 89.26 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.69 -33.03 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.07 116.65 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 -18.96 21.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.36 2.9 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -109.54 142.16 25.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 179.58 3.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.1 mm? -74.64 -31.07 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -66.19 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.42 -34.62 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.547 ' CE1' HD22 ' A' ' 69' ' ' LEU . 77.0 m-85 -91.12 16.12 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 m 60.8 34.85 19.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.19 133.88 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.95 154.85 47.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 8.9 p-10 -41.25 142.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.25 -41.74 2.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.6 m -118.5 147.02 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 mt -109.25 118.05 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -101.63 108.46 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.5 t -91.34 123.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -135.02 170.78 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 7.8 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -88.17 134.89 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -105.46 131.56 52.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -87.55 100.57 12.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.47 173.44 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 64.6 mttt -113.41 132.38 55.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.06 124.96 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -147.98 133.71 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 13' ' ' LYS . 63.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.0 -178.53 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.43 113.92 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -127.34 156.27 42.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' C ' HD22 ' A' ' 9' ' ' LEU . 49.7 mt-30 -114.33 124.05 51.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.5 mm? -134.37 143.92 48.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.2 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.1 p30 -40.73 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -63.7 -45.12 91.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.6 ttp -44.36 112.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -62.07 144.31 55.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.0 -41.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -55.06 -46.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -55.34 -54.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -52.62 -43.02 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.58 -36.57 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.29 75.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.4 -39.03 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.2 mt -89.01 -35.2 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.7 t -39.11 -39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -71.97 -37.96 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.0 tp -74.41 -57.73 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.66 4.52 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt 48.71 25.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 84.1 t -107.84 138.69 20.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.77 138.78 38.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.1 -29.15 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 t -63.01 -42.61 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.22 -28.26 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.78 142.66 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.65 115.83 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.94 129.28 36.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -132.76 119.64 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CZ ' HD12 ' A' ' 67' ' ' ILE . 3.1 p90 -99.5 146.62 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.87 115.98 26.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 1.0 OUTLIER -57.78 175.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -100.12 -23.82 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' CG ' ' SD ' ' A' ' 62' ' ' MET . 0.2 OUTLIER -89.82 -41.12 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.488 ' SD ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -107.39 71.14 0.3 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 110.823 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 54.0 Cg_endo -69.76 146.41 60.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.65 43.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -104.2 83.45 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.99 137.56 37.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.513 HD12 ' CZ ' ' A' ' 57' ' ' TYR . 5.2 mp -97.86 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.13 110.7 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 79' ' ' TYR . 7.2 mt -76.96 110.9 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.53 -21.16 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -85.06 96.65 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -24.36 63.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.4 35.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 78.2 mm-40 -144.22 136.49 13.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.8 26.42 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -66.09 -36.58 83.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 19.7 tp60 -61.96 -33.45 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.36 -25.01 61.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CD1' HD23 ' A' ' 69' ' ' LEU . 79.9 m-85 -96.79 24.56 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 35.38 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 57' ' ' TYR . 86.6 t -93.98 120.28 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.97 161.3 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -45.19 132.87 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.13 1.05 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.68 -177.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.6 m -125.1 148.36 48.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 93.5 mt -108.34 132.9 53.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -120.07 107.34 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.73 100.54 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -123.82 151.7 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 42.1 p90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 29' ' ' LEU . 1.9 mm? -67.91 141.67 56.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -111.44 113.42 25.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 m -71.3 97.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 87' ' ' LEU . 14.4 mt -119.01 178.56 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -127.17 127.59 44.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 4.1 mp -96.43 135.6 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -160.28 130.21 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.575 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.8 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.901 0.382 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.8 172.46 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -130.08 120.18 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 1.1 mmmm -133.41 153.29 51.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' C ' HD13 ' A' ' 9' ' ' LEU . 6.2 mt-30 -116.44 122.93 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.518 ' N ' HD13 ' A' ' 9' ' ' LEU . 1.4 mm? -135.18 141.98 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' CD1' ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -45.43 -25.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -62.67 -39.68 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -49.41 130.96 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.2 p -76.4 143.09 40.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 45.3 t -42.27 -40.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.43 -46.54 80.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -53.23 -54.22 39.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.17 -38.16 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 64.0 mttt -66.74 -38.96 87.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.34 -41.95 66.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.21 -42.68 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' ARG . 15.4 mt -84.91 -37.29 20.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.9 t -33.86 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.5 mmt180 -81.41 -50.04 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.4 tp -57.47 -45.4 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.0 mt -96.87 9.02 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.23 45.2 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 92.9 t -122.88 138.77 30.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.8 131.01 20.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 39' ' ' LYS . 56.1 t -47.12 -25.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 p -68.46 -40.82 80.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 6.2 mm-40 -92.3 5.6 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' O ' ' NZ ' ' A' ' 39' ' ' LYS . 30.8 mt -98.37 91.21 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -88.94 108.46 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.2 mm? -87.06 139.95 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 p -145.86 119.82 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -98.03 140.46 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -102.81 125.21 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 t -66.89 133.68 50.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -63.76 -48.51 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' CE ' ' HB2' ' A' ' 62' ' ' MET . 0.0 OUTLIER -63.63 -18.24 63.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.452 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 4.2 ttm -133.85 85.94 39.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.89 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.98 67.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -39.14 2.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -80.56 121.37 25.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -116.74 144.36 44.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.71 116.94 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.7 113.99 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD2' ' CG ' ' A' ' 79' ' ' TYR . 30.9 mt -74.44 101.63 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.89 -55.46 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.95 133.29 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -98.99 -30.06 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -85.12 34.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -129.92 138.97 34.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.18 66.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.67 -35.01 54.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -58.24 -33.81 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.32 -40.29 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 95.9 m-85 -86.85 25.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.4 m 54.28 45.14 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -99.59 125.1 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -136.72 157.56 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -39.61 142.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.69 -43.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 177.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.6 m -118.72 148.79 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 12' ' ' LEU . 39.4 mt -112.41 126.63 55.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.6 mt -118.55 123.6 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.17 122.24 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -134.88 146.99 49.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.575 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 19.5 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mp -87.56 135.05 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 HD11 ' CG ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -103.38 140.44 37.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -96.02 104.63 16.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -124.21 167.75 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -116.35 131.17 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.43 119.42 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -124.66 124.99 43.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -116.49 177.13 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -136.94 121.41 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 15.1 tptm -132.22 149.1 52.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 43.4 mt-30 -112.52 123.49 50.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -133.61 145.9 58.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.9 13.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' CG ' HD11 ' A' ' 10' ' ' LEU . 15.7 t0 -49.89 -23.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -67.49 -33.4 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.0 ttt -46.0 150.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -93.39 134.7 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.9 t -39.34 -38.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.53 -53.44 57.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.56 -54.72 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.9 t -49.16 -35.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.05 -35.49 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.09 -21.95 78.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -73.4 -41.04 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.6 -19.76 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -56.12 -28.74 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.65 -16.86 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -81.1 -64.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.68 4.63 21.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 57.38 39.89 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 33.0 t -115.16 137.03 22.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.2 Cg_endo -69.73 132.6 23.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.406 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.36 -21.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -73.67 -37.58 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.91 -4.49 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.5 mt -87.15 115.92 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.11 102.82 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -86.94 137.05 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -140.51 117.85 11.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.92 131.38 42.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -94.58 118.9 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -75.4 132.57 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -65.93 -49.41 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -47.45 -37.99 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 tpt -118.76 82.6 20.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.99 29.65 17.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -161.65 117.42 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.78 152.01 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.57 112.32 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.14 111.73 9.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 12.5 mt -74.65 107.27 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -89.94 -31.69 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.444 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 8.8 t-20 -85.38 145.54 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -113.71 -46.76 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.79 -15.34 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.444 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 18.6 mm-40 -84.61 138.6 38.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.64 0.733 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 76' ' ' LEU . 3.7 mm? -71.64 -35.65 70.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.32 -24.84 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.73 -33.89 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 64.7 m-85 -86.75 11.67 12.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m 62.78 38.3 11.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -86.63 123.16 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -124.39 157.03 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -51.5 138.22 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 -23.21 26.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -64.66 176.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.9 m -123.33 124.82 43.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.58 116.82 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mt -98.15 112.53 24.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.4 t -95.08 95.98 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.38 139.44 51.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.9 mp -83.91 142.86 30.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD11 ' CG ' ' A' ' 31' ' ' ASP . 1.6 mt -117.86 134.15 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -88.08 95.11 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.81 158.68 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -107.08 122.7 46.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 116.75 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -125.57 125.23 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.855 0.36 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.96 174.5 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -133.4 118.35 18.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -128.32 150.07 50.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' C ' HD23 ' A' ' 29' ' ' LEU . 63.1 mt-30 -114.96 114.73 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -127.22 147.72 63.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.9 Cg_endo -69.72 119.21 6.19 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 77' ' ' GLN . 13.8 t0 -42.36 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PRO . 6.8 t -65.61 -44.22 87.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.1 ttp -41.58 137.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -82.52 141.5 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.2 t -42.79 -35.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -56.02 -56.74 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -50.17 -54.53 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -46.23 -48.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 53' ' ' LEU . 42.8 mttt -66.8 -43.36 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.0 -25.21 67.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.24 -35.36 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LEU . 68.3 mt -84.06 -36.07 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 4.2 t -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.7 mmt-85 -71.76 -33.31 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.8 mp -72.75 -59.43 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 19.2 mt -88.46 23.11 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 32.76 51.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 89.4 t -129.08 139.13 34.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.651 0.738 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 134.34 27.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.19 -24.53 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -64.33 -21.3 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -108.25 -31.68 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 64.8 mt -61.82 107.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.67 115.06 28.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 55' ' ' LEU . 3.4 mm? -90.2 139.87 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 p -145.61 118.97 8.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.7 p90 -95.36 141.44 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -103.78 104.9 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.6 p -46.62 122.35 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.0 m -56.27 -42.82 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 62' ' ' MET . 36.8 pttt -63.22 -43.27 98.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.431 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 9.5 ttt -115.65 82.0 9.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.12 67.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.49 -36.58 3.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -93.27 88.72 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.63 144.82 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.516 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.3 mp -104.88 119.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -77.12 117.61 18.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' A' ' 79' ' ' TYR . 15.3 mt -86.82 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -79.41 -40.54 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.56 100.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.14 -28.04 57.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.32 33.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -136.03 138.24 27.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 152.06 69.01 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 76' ' ' LEU . 3.1 mm? -54.92 -29.9 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.496 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 4.4 pp0? -63.92 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.62 -36.08 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CE2' HD21 ' A' ' 69' ' ' LEU . 77.1 m-85 -87.75 17.66 4.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m 57.85 42.35 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.7 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.04 161.91 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.03 146.79 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.95 -39.77 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.48 176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.1 m -117.1 141.14 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.1 mt -101.24 116.92 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.49 118.26 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -103.38 104.57 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -127.93 136.13 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 13.9 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -73.82 131.49 41.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.88 148.18 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -97.7 113.58 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' CD2' ' CG ' ' A' ' 85' ' ' ASP . 1.9 mt -130.89 160.13 35.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.27 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.03 121.03 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 25.6 tttp -135.4 110.36 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 15' ' ' LYS . 21.2 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.809 0.338 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.26 156.35 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -119.33 120.41 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -133.68 131.31 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' C ' HD22 ' A' ' 9' ' ' LEU . 52.6 mt-30 -92.65 128.5 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 28' ' ' GLN . 2.7 mm? -130.79 141.75 43.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.52 14.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 8' ' ' GLN . 9.3 p-10 -45.74 -25.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t -67.46 -38.37 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttt -41.44 115.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 45.9 p -68.5 132.48 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' THR . 15.3 t -34.93 -34.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' THR . 22.7 tt0 -65.08 -46.81 79.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' THR . 15.0 mmmt -53.97 -46.84 71.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.79 -59.6 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.5 mptt -47.08 -40.06 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.37 92.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.63 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ARG . 6.9 mt -72.41 -40.53 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.1 t -34.02 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' LEU . 13.4 mmp_? -84.49 -51.62 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 tp -53.92 -46.56 71.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -94.91 1.21 55.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 54.02 37.83 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 98.4 t -110.95 138.93 21.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.3 Cg_endo -69.7 133.41 25.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.254 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 24.1 t -51.79 -19.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -72.47 -31.77 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -94.87 -23.4 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.1 mt -70.75 136.17 48.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -143.85 110.49 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.72 138.25 31.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -140.28 120.54 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.442 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -98.71 142.35 30.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.77 121.76 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 p -66.63 100.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' SER . 65.5 m -35.31 -56.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -49.13 -49.51 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.24 84.1 13.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 160.31 50.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.31 -15.06 47.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -114.42 86.28 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.29 145.32 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.442 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.9 mp -104.77 111.73 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -68.78 113.44 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 79' ' ' TYR . 23.4 mt -77.78 106.34 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.62 -62.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.459 ' ND2' ' CG ' ' A' ' 74' ' ' GLN . 7.6 t-20 -47.85 127.12 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.7 OUTLIER -98.54 -34.8 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.88 -6.92 50.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.459 ' CG ' ' ND2' ' A' ' 71' ' ' ASN . 28.9 mm-40 -99.87 136.09 20.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.52 3.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 2.6 mm? -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.29 -26.82 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.79 -30.85 71.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 69' ' ' LEU . 79.3 m-85 -91.92 11.87 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.0 m 62.29 44.03 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.8 t -100.21 135.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.88 166.64 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -53.19 138.04 32.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.01 -42.35 1.94 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.512 ' CG ' ' CD2' ' A' ' 12' ' ' LEU . 1.4 p30 -60.79 169.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 m -105.73 162.12 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.8 mt -122.89 119.99 32.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.18 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.5 t -100.26 105.19 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -131.08 134.83 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.6 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.484 HD11 ' N ' ' A' ' 29' ' ' LEU . 1.5 mm? -63.36 135.82 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.55 118.75 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -77.53 108.76 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 mt -126.41 153.92 44.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -104.78 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.52 122.75 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -135.18 105.3 6.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.417 ' C ' HD11 ' A' ' 25' ' ' LEU . 97.3 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -110.86 177.26 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.17 142.53 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -149.42 143.84 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -117.72 114.53 23.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.44 143.69 49.92 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 134.58 28.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -52.99 -26.4 15.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -66.1 -26.29 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ttt -54.05 140.12 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 14.2 p -88.4 133.57 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 43.9 t -35.3 -44.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -54.47 -51.28 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -53.74 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.18 -51.42 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 96.4 mttt -56.11 -39.01 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.56 -36.84 92.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.04 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.0 mt -78.21 -29.08 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -46.93 -29.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.43 -25.14 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 45' ' ' LEU . 10.2 mp -69.98 -58.14 4.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -91.82 2.27 56.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.74 46.83 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 99.5 t -115.92 138.96 24.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.8 125.12 11.76 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.63 -28.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -62.19 -34.97 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.57 -42.74 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 48' ' ' VAL . 13.9 mt -39.2 110.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.25 102.96 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.7 mp -94.87 131.27 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -142.73 120.15 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.1 p90 -95.58 141.29 29.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -97.04 119.17 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.0 m -81.36 127.34 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -53.23 -60.16 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -41.65 -41.85 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 mmt -117.6 84.81 19.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.846 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 135.4 30.18 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.48 -15.94 58.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -98.54 87.82 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -78.25 150.15 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.436 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 3.4 mp -115.27 101.98 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.6 109.82 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 79' ' ' TYR . 12.4 mt -74.82 112.86 11.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -100.14 -50.05 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.16 113.2 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -15.88 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.56 15.31 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -119.73 138.52 26.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 161.8 44.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.05 -32.52 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -61.02 -34.24 74.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.04 -25.18 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 69' ' ' LEU . 75.6 m-85 -98.84 21.72 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 t 52.9 33.71 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 82' ' ' GLU . 94.3 t -85.86 135.19 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 81' ' ' VAL . 12.5 pt-20 -142.66 152.07 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -39.4 140.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.94 -51.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -46.4 167.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.82 146.0 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.7 mt -107.01 116.67 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 mt -105.61 107.04 17.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.9 t -88.87 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -162.2 178.4 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD21 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -89.75 140.75 29.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.99 141.73 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -101.0 103.2 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -123.85 168.97 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -108.59 138.49 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.16 131.42 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -149.71 122.99 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.03 -176.46 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -144.92 121.48 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -120.69 152.81 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' C ' HD21 ' A' ' 9' ' ' LEU . 35.0 mt-30 -122.53 114.13 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -129.42 150.87 76.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 119.34 6.3 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.6 -20.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -67.44 -39.72 85.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.433 ' HG2' ' CB ' ' A' ' 37' ' ' LYS . 2.3 ttp -48.81 136.17 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' VAL . 11.4 p -77.51 141.86 39.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' THR . 86.4 t -36.92 -48.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.62 -52.59 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' CB ' ' HG2' ' A' ' 33' ' ' MET . 6.9 mmtp -54.1 -43.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.52 -38.07 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -71.24 -51.83 22.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.38 -15.67 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.92 -43.21 65.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 64.7 mt -88.62 -37.48 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.9 t -33.92 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -65.44 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 tp -60.75 -53.95 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.97 8.21 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 48.3 28.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 91' ' ' TRP . 95.3 t -103.83 136.86 19.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.64 -27.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -65.24 -21.42 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -109.06 -39.54 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.82 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 25.9 mt -94.91 97.88 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 7.8 mp -94.07 139.04 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -143.37 124.72 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -104.11 146.99 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.24 124.92 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -77.48 154.86 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 t -78.34 -24.51 46.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 62' ' ' MET . 10.1 ptpp? -73.59 -42.23 61.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 62' ' ' MET . 6.9 ptt? -112.44 82.86 4.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.32 64.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.6 63.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -151.04 120.17 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 150.86 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 67' ' ' ILE . 4.1 mp -110.88 108.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.09 115.06 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 mt -82.34 113.37 20.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.54 -9.81 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.92 118.53 28.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -21.79 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.56 30.67 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -136.84 135.89 20.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.89 -33.61 75.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -60.27 -33.6 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.62 -30.89 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 22.81 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m 51.74 25.27 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.3 t -76.22 117.62 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.5 163.47 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 83' ' ' ASN . 11.0 t-20 -54.65 127.95 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.61 -39.68 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.65 -177.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.2 m -121.41 150.2 41.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.5 114.33 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.47 110.17 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.56 131.6 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LEU . 69.7 ttt180 -157.35 147.32 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.415 ' CD1' HG22 ' A' ' 48' ' ' VAL . 41.7 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -89.0 -57.53 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m 59.75 42.95 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.75 -171.93 44.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -78.01 -45.42 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 p -47.1 121.65 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.15 133.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -108.15 153.24 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mp -88.49 132.39 34.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -110.7 102.54 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.06 174.74 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -118.39 128.54 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.98 132.54 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -148.23 118.75 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.594 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 5.6 t -58.03 130.46 46.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 m -72.55 -35.07 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.75 -26.75 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -114.72 85.07 10.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -40.51 5.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.378 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.5 -46.36 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -43.16 120.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -47.13 161.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -100.0 135.89 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -117.11 172.98 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.48 128.53 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -126.89 135.28 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' C ' HD23 ' A' ' 29' ' ' LEU . 83.2 mt-30 -102.98 116.75 33.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -132.26 146.9 63.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 127.02 14.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.79 -26.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -66.17 -40.07 90.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttt -39.89 135.22 1.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' GLN . 32.4 p -86.55 133.06 33.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.451 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 18.8 t -36.67 -32.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.6 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -55.72 -47.71 76.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.8 -39.15 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 74.1 mttt -72.86 -38.09 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 50' ' ' VAL . . . -70.6 -29.09 70.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.46 -43.2 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mt -82.64 -23.67 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -49.57 -45.17 47.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -72.38 -21.92 61.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.8 mt -76.13 -63.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' CZ3' ' A' ' 91' ' ' TRP . 16.5 mt -83.32 13.89 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.76 31.89 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 22.3 t -110.61 136.83 20.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 133.02 24.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG2' ' HA2' ' A' ' 40' ' ' GLY . 52.4 t -44.15 -23.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -70.45 -44.14 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 50.8 mt-10 -87.62 6.68 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.17 92.34 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -92.42 106.05 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -87.52 132.9 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.3 p -138.71 121.59 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -100.45 145.05 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -100.27 113.49 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -76.16 117.47 17.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -49.71 -58.1 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -40.47 -40.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpp -117.35 86.81 22.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.91 47.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.72 77.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -152.92 121.08 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 31.9 mp0 -109.15 146.11 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.41 ' N ' HD11 ' A' ' 67' ' ' ILE . 5.2 mp -109.0 109.35 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.65 107.58 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 15.9 mt -72.38 102.15 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -87.1 -27.66 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.48 124.09 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -95.16 -36.07 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.83 -6.77 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.14 136.96 22.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 178.35 4.65 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.7 mm? -75.91 -33.07 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.17 -20.56 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.83 -27.73 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.541 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 84.7 m-85 -98.98 24.6 7.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t 53.14 37.83 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.09 118.59 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -127.7 154.23 45.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.6 143.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.27 10.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.55 178.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.5 m -125.65 129.65 50.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.7 132.32 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.72 115.7 23.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.98 110.18 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 91' ' ' TRP . 0.0 OUTLIER -121.81 141.56 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 23.2 p90 -147.91 142.33 26.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -108.87 147.77 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.74 -73.62 1.16 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -59.67 160.46 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -158.52 120.76 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 44.85 41.93 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -59.76 174.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.89 -179.12 47.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -124.55 39.51 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -98.83 36.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.93 121.42 4.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -142.44 148.2 37.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' C ' HD22 ' A' ' 10' ' ' LEU . 1.9 mp -79.55 130.23 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -104.96 140.68 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.3 m -95.34 101.75 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' CG ' ' A' ' 87' ' ' LEU . 8.4 mt -120.86 176.44 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -121.52 124.94 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.1 127.85 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -139.36 114.7 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.77 114.23 20.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -62.63 -43.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -66.28 -5.12 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.81 90.9 30.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -13.93 35.36 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -98.62 -35.26 10.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -41.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.73 139.15 21.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 25' ' ' LEU . 27.4 mt -71.1 152.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' N ' HG21 ' A' ' 24' ' ' ILE . 8.8 mt -134.81 166.16 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.65 114.76 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -126.63 147.8 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 42.8 mt-30 -117.5 117.1 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -126.43 148.83 65.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.37 14.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -49.31 -24.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 1.9 ttp -48.94 125.1 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 p -70.85 146.4 49.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.01 -35.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -60.01 -46.98 87.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.62 -36.14 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' CG ' HD21 ' A' ' 55' ' ' LEU . 72.0 mttt -73.04 -36.22 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.6 68.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.39 -41.22 85.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.29 -22.81 30.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -53.53 -44.68 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -74.22 -24.23 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.47 -60.35 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 mt -88.86 15.25 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.86 41.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 87.5 t -112.77 138.69 22.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.4 Cg_endo -69.72 127.68 14.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.6 t -49.93 -23.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 t -68.09 -45.71 73.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.84 -30.59 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -53.02 149.7 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -144.02 110.91 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.437 HD21 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -94.17 132.0 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -141.6 117.03 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.8 p90 -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -105.88 111.83 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 m -64.54 120.06 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -48.75 -63.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.31 85.19 15.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.03 41.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.54 -31.66 6.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -91.0 93.54 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -85.01 148.36 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.6 mp -105.72 114.75 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.72 103.32 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 79' ' ' TYR . 12.4 mt -69.09 109.64 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.9 -17.86 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.465 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -93.67 -30.65 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -84.22 34.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.465 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 76.7 mm-40 -137.93 139.15 25.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.629 2.22 . . . . 0.0 112.376 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -61.95 -25.18 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.76 -27.96 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CD1' HD21 ' A' ' 69' ' ' LEU . 80.4 m-85 -97.63 18.42 15.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m 61.21 31.53 19.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -80.81 124.2 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -127.13 157.32 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.72 141.99 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.48 -19.15 46.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -70.82 168.32 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 99.0 m -112.92 133.94 54.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CG ' HD13 ' A' ' 12' ' ' LEU . 89.7 mt -97.28 123.94 41.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.45 107.27 17.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.32 124.41 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -135.94 175.4 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.4 p90 -175.03 155.73 2.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.0 t -115.28 140.65 48.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.93 80.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.25 11.93 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 m -116.52 57.04 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.785 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.9 p -138.85 152.08 47.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -74.9 97.35 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -94.54 98.31 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.74 113.04 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -51.94 -61.02 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -114.08 81.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.24 154.44 6.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -140.73 163.97 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 10' ' ' LEU . 1.9 mp -80.36 129.53 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD21 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -108.08 142.49 38.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.6 m -92.72 106.88 18.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.0 151.54 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -101.11 120.03 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.91 123.38 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -132.32 130.46 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 m -89.52 98.78 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -45.27 -60.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -54.01 -21.68 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -114.78 86.44 13.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.85 30.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.13 -27.15 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.44 109.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.27 155.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.72 139.66 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -115.91 160.0 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -117.79 133.59 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.08 136.88 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' C ' HD21 ' A' ' 29' ' ' LEU . 48.5 mt-30 -102.72 121.27 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 28' ' ' GLN . 1.9 mm? -123.29 145.26 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.297 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.3 p30 -40.57 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' PRO . 27.9 t -65.1 -45.44 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -39.8 122.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -71.99 142.65 49.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -42.6 -28.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -68.18 -41.44 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.72 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.32 -44.57 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' CG ' HD21 ' A' ' 55' ' ' LEU . 60.0 mttt -70.13 -29.13 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.27 -16.66 77.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -77.39 -44.07 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.93 -18.19 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -53.87 -43.73 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -72.4 -21.73 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.86 -64.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 18.6 mt -78.44 8.08 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 1.8 mppt? 51.62 37.08 18.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 98.0 t -113.13 138.88 22.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.76 131.52 21.41 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 t -50.74 -23.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -69.25 -42.79 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.94 -18.87 35.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 48' ' ' VAL . 19.1 mt -73.31 120.93 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.12 111.33 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.27 141.14 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -145.42 120.15 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -100.64 141.59 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -102.36 112.21 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -69.47 114.96 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -51.32 -55.78 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -44.77 -41.46 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.21 82.22 7.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.68 69.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 26.96 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -152.94 136.03 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -124.31 141.32 52.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.3 mp -108.1 104.85 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.84 105.22 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 79' ' ' TYR . 16.4 mt -65.21 96.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.43 -57.94 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -56.56 123.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.55 -27.7 15.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.73 24.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 71.7 mm-40 -126.78 140.78 38.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.84 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.3 mm? -68.89 -33.37 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.37 -25.42 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -70.54 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 69' ' ' LEU . 53.0 m-85 -104.26 16.15 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.0 t 58.89 46.69 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -100.42 126.46 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.54 160.16 36.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -47.89 141.25 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.34 -38.93 3.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -54.9 172.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -116.96 147.84 41.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -105.07 122.36 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -109.92 105.68 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.5 124.64 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -159.32 139.53 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -116.68 179.58 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -150.69 115.85 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.81 71.71 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.99 4.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -81.73 130.14 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 t -146.33 140.66 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -132.3 110.34 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -124.54 -49.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.86 93.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -152.65 176.86 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -59.62 -43.39 93.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.21 132.27 10.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -86.81 134.79 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.68 148.47 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -103.7 101.37 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -125.69 161.91 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -108.06 133.23 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.61 120.43 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -133.49 111.39 10.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 19' ' ' GLN . 68.3 m -66.72 130.57 43.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 t -67.95 147.41 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 44.96 25.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.403 ' HB2' ' CB ' ' A' ' 16' ' ' CYS . 36.3 mm-40 -117.08 82.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.98 28.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.61 -39.72 77.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 124.6 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.7 mt -53.43 147.15 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.62 -178.77 5.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -145.9 114.37 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -125.09 153.16 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' C ' HD21 ' A' ' 29' ' ' LEU . 52.9 mt-30 -113.67 119.32 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 1.6 mm? -131.45 150.95 77.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.25 8.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -43.2 -24.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.7 ttp -41.25 111.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 p -62.34 142.96 57.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -43.3 -27.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -67.36 -49.98 61.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -56.01 -54.08 49.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.05 -40.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' CG ' HD23 ' A' ' 55' ' ' LEU . 67.4 mttt -70.39 -30.29 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.67 -4.53 87.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 tp -86.87 -42.76 12.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.01 -20.99 23.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -44.92 -45.12 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -76.13 -34.31 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 45' ' ' LEU . 10.2 mp -62.09 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.19 8.56 12.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? 49.38 51.88 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 85.8 t -126.97 138.7 33.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.72 123.91 10.58 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.1 t -41.84 -27.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -65.36 -43.49 90.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -81.53 -19.65 41.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.75 134.71 46.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.1 109.65 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD21 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -87.6 129.8 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -139.4 119.81 13.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.8 p90 -98.36 149.35 22.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.91 126.49 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -81.32 147.45 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 p -78.38 -47.37 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -52.2 -27.02 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -131.67 82.34 61.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.72 61.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.14 22.53 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -151.03 116.17 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CD ' ' C ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -110.42 156.74 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.554 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.1 mp -113.44 107.26 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.81 108.79 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.23 104.65 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.74 -34.45 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.05 109.78 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -13.21 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.8 mt -101.7 19.99 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -128.76 141.29 41.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.74 10.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -70.97 -34.65 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.56 -30.53 71.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.99 -14.51 16.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -111.53 24.1 13.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t 57.01 27.49 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -81.26 117.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -125.92 165.15 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.16 137.07 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.97 -37.46 3.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.12 170.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.0 m -111.95 147.61 35.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.94 129.14 54.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.23 107.03 14.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.45 108.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 18.1 ttm180 -128.72 152.07 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.454 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.1 p90 -147.85 146.01 28.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.7 t -90.2 144.23 26.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.97 81.6 0.24 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.32 36.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 m -127.38 99.69 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -121.95 -56.51 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 m -99.68 129.09 45.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -121.85 96.49 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.03 91.69 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p 47.9 26.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -95.61 95.27 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.65 157.53 22.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.72 142.98 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.91 133.4 43.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.02 128.51 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 m -86.18 101.12 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 9.4 mt -118.44 172.02 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -119.92 123.65 44.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.09 123.54 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -139.37 107.12 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 2.0 t -60.77 112.78 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t -48.66 -26.84 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -86.67 -30.47 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -109.88 82.66 2.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -48.71 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.4 -47.6 85.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLN . 17.3 ttm180 -38.71 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' ARG . 1.5 pp0? -35.97 141.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 25' ' ' LEU . 63.1 mt -82.0 143.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -104.91 169.5 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.44 113.96 18.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.28 133.05 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' C ' HD22 ' A' ' 29' ' ' LEU . 36.5 mt-30 -106.68 121.3 44.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.71 143.38 48.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.77 122.79 9.46 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.61 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' PRO . 25.5 t -65.32 -45.16 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.2 ttp -40.93 129.12 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -74.46 138.84 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.22 -31.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.77 -46.05 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.69 -48.18 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.09 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 55' ' ' LEU . 23.9 mttt -47.64 -31.11 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.25 -31.14 59.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.42 -48.54 78.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' LEU . 6.6 mt -81.34 -37.03 28.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' CA ' ' A' ' 47' ' ' LYS . 3.4 t -38.1 -42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -76.23 -36.44 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.6 mp -61.65 -58.01 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD12 ' CZ3' ' A' ' 91' ' ' TRP . 13.4 mt -90.5 -0.12 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CA ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 60.63 32.24 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 84.6 t -101.15 138.71 20.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.1 Cg_endo -69.74 131.99 22.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.28 -22.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -63.24 -47.62 81.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -81.9 -35.32 29.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.35 142.89 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 90' ' ' ARG . 72.9 mt -138.14 111.37 7.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm? -93.25 130.09 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -142.92 117.46 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -96.83 141.21 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -104.86 119.81 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.9 p -68.93 123.39 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -52.45 -53.54 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.79 -32.0 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 ttt -127.58 85.09 61.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.61 59.77 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -44.48 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -79.91 112.06 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.39 147.28 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 67' ' ' ILE . 4.5 mp -112.52 120.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 113.85 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 79' ' ' TYR . 15.1 mt -75.46 94.26 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.47 -15.73 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.29 101.18 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -37.77 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.61 -9.98 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -96.28 142.1 24.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.53 0.681 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.63 -36.28 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -60.43 -34.22 73.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.26 -28.6 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 69' ' ' LEU . 67.0 m-85 -99.75 27.43 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t 51.63 25.74 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 82.2 t -79.45 136.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.43 171.3 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -57.7 140.92 50.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.23 -38.49 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 9.9 m-20 -49.2 176.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 94.5 m -120.03 136.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.88 126.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.9 mt -115.08 107.62 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.406 HG21 ' CD1' ' A' ' 42' ' ' LEU . 96.2 t -92.78 146.95 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' LEU . 47.3 ttp180 -159.08 143.8 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.525 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 33.0 p90 -139.43 136.85 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.3 t -104.09 134.79 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.29 67.99 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.49 32.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.745 2.296 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.0 m -41.4 -54.81 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -61.87 -58.23 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -93.7 -56.75 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -113.98 158.13 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.11 -147.71 41.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -109.07 173.37 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -86.57 125.44 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.92 149.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -100.03 149.94 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.2 mp -85.91 134.74 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.35 150.87 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -106.72 98.52 8.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.61 173.61 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -119.52 136.03 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 15' ' ' LYS . 3.5 mp -100.77 132.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' HG22 ' A' ' 14' ' ' ILE . 4.8 tmtm? -155.83 132.7 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLN . 5.0 m -81.22 91.54 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -47.34 -31.67 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -84.17 22.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mm100 -150.67 108.15 3.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.46 27.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.392 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.42 -43.17 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -39.32 113.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.29 169.08 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 mt -108.37 139.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 173.36 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.47 121.63 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CG ' HD13 ' A' ' 29' ' ' LEU . 15.7 tptp -127.88 147.06 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' C ' HD22 ' A' ' 9' ' ' LEU . 64.9 mt-30 -113.23 117.72 32.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -130.34 150.0 74.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.82 9.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.11 -24.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -65.52 -42.54 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.499 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -43.95 123.6 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -71.02 141.4 50.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.3 t -42.32 -42.24 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.38 -41.77 69.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.57 -38.69 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -69.98 -36.88 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.01 -28.02 72.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.74 -39.77 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LEU . 23.2 mt -93.6 -22.91 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -45.94 -30.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -88.61 -24.78 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.7 mm? -72.19 -54.56 9.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.13 -4.86 57.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.38 35.25 9.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 92.3 t -110.79 138.77 21.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.79 126.69 13.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.6 t -40.72 -25.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -68.7 -44.0 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 78.5 mt-10 -83.88 -6.76 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.87 104.93 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.05 103.47 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.54 123.24 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -127.54 118.51 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -95.81 145.58 25.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -107.59 108.72 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 p -56.2 147.74 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -82.62 9.27 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -113.02 -26.35 8.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.6 mmt -123.62 85.85 52.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 129.15 17.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -8.3 63.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -114.43 114.54 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.29 139.55 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.54 125.8 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.38 111.2 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 79' ' ' TYR . 10.6 mt -73.0 87.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.13 -25.19 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.25 119.92 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.47 -21.59 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.77 -10.14 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -97.08 140.34 22.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -79.97 -30.3 39.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -69.29 -25.46 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.5 -26.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE1' HD21 ' A' ' 69' ' ' LEU . 80.3 m-85 -97.04 17.42 17.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 t 60.08 26.64 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.16 122.28 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -122.59 166.71 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.86 132.19 45.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.84 -34.83 4.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 179.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.07 155.09 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.29 121.59 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.34 118.17 36.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.93 107.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -139.34 142.73 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 33.2 p90 -130.0 158.52 39.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -89.78 -51.59 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.74 73.55 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 169.56 18.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.0 m -44.23 109.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.7 t -77.72 125.92 30.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -77.16 136.46 38.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -131.34 -53.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.11 -60.78 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -49.36 166.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -97.2 82.4 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.42 149.42 8.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -136.96 152.22 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mp -81.81 133.61 35.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -102.51 150.75 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -106.48 105.39 15.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 87' ' ' LEU . 5.2 mt -129.51 169.6 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -115.7 130.46 56.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.49 127.04 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -148.03 120.44 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' SG ' ' CG ' ' A' ' 19' ' ' GLN . 54.1 t -69.1 133.28 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -81.42 -20.64 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -102.85 -4.89 24.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 9.5 mm-40 -134.02 87.32 34.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.4 3.46 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -51.78 -39.98 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -49.11 135.26 16.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -74.09 142.05 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.8 mt -76.96 144.54 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -130.39 174.22 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -134.79 125.71 27.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -134.66 146.19 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' C ' HD22 ' A' ' 29' ' ' LEU . 62.1 mt-30 -109.15 120.66 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -134.42 146.56 59.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -50.26 -20.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -36.13 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.8 ttp -51.89 127.2 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.0 p -69.61 135.35 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -38.19 -37.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -56.84 -49.05 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -54.57 -47.47 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.43 -37.2 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 77.7 mttt -69.93 -35.97 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.1 -22.71 78.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -68.17 -38.61 82.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.1 mt -85.29 -37.39 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . 6.8 t -37.45 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -72.38 -42.34 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.3 tp -67.04 -50.46 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 14.44 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mptt 38.74 35.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 90.3 t -108.11 138.7 20.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.82 125.4 12.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.3 t -45.35 -24.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.2 p -68.75 -41.0 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.6 -13.3 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.57 147.53 37.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' ARG . 29.4 mt -141.8 109.29 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.4 mm? -89.58 126.76 35.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.83 121.79 18.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.405 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.5 p90 -99.3 145.46 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -106.41 117.87 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -66.19 121.33 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.7 p -52.94 -33.52 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -72.62 -28.54 62.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.8 tpp -127.12 81.25 70.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.693 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.91 36.59 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.14 -21.34 45.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -106.69 85.62 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.09 138.54 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.409 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.5 mp -92.74 130.86 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 9.0 mp0 -79.8 119.44 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.623 ' CD2' ' CG ' ' A' ' 79' ' ' TYR . 17.3 mt -85.49 74.88 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -69.34 -49.58 54.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -63.91 106.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -38.43 31.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 73' ' ' LEU . 5.2 mp -62.25 -18.09 60.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -88.25 138.12 30.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 179.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -77.25 -30.02 54.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 17.3 tp60 -66.78 -27.39 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.87 -27.12 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.623 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 52.7 m-85 -94.85 19.31 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t 55.5 38.45 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.2 t -92.86 118.98 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -124.81 164.55 19.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -52.52 134.98 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.23 -36.42 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.21 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.7 m -128.74 123.31 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CD1' HD11 ' A' ' 12' ' ' LEU . 91.8 mt -86.05 124.54 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -112.51 109.09 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.9 t -90.64 108.8 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LEU . 46.6 ttp180 -127.55 155.88 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.404 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.8 p90 -152.41 140.1 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -82.34 -58.75 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 41.93 64.21 1.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 161.68 45.02 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -50.12 -45.43 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.7 p -126.56 176.77 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m 48.88 42.36 20.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -71.62 131.57 43.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.6 -59.45 0.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -81.25 128.54 33.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.0 p -48.53 138.98 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 129.74 10.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.12 142.8 30.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' CD1' ' CA ' ' A' ' 29' ' ' LEU . 3.6 mm? -74.01 144.1 45.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -116.78 122.01 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.433 ' OG1' ' NE2' ' A' ' 28' ' ' GLN . 24.0 m -81.46 102.42 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 19.7 mt -121.67 155.62 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -103.37 123.58 47.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.03 116.32 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -126.31 126.53 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 m -91.07 113.5 25.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -65.37 -41.28 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -70.5 -8.05 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -129.88 93.21 34.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -27.34 26.57 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.2 -33.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -48.68 114.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -57.5 163.24 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 25' ' ' LEU . 14.3 mm -82.67 142.11 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' N ' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -119.88 155.15 33.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.43 121.62 32.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' CG ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -137.74 148.51 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 8.2 mt-30 -117.43 121.3 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -131.5 152.22 80.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' N ' HD11 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' CB ' HD11 ' A' ' 10' ' ' LEU . 5.7 p-10 -45.97 -20.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -66.17 -42.12 89.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 ttp -46.31 130.96 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -74.18 141.45 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.457 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 82.3 t -42.52 -34.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -57.74 -44.36 86.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -63.79 -48.38 77.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.57 -37.36 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 90.2 mttt -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -71.11 -32.69 65.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.02 -42.7 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -87.14 -20.96 26.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -50.64 -30.31 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -87.08 -19.95 27.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.16 -56.32 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 14.2 mt -89.57 8.54 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.53 38.25 29.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 21.7 t -120.13 136.85 25.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.79 136.19 32.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 40' ' ' GLY . 25.3 t -46.58 -23.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -72.8 -42.28 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.65 15.04 15.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.9 101.73 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 91' ' ' TRP . 0.1 OUTLIER -95.43 102.11 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.66 118.13 28.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.6 p -123.84 119.84 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -96.14 143.59 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.9 127.2 48.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -64.98 140.64 58.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 p -77.98 -41.79 34.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -70.76 -20.89 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.41 ' CB ' ' HD2' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -133.55 86.05 41.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.848 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.22 20.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.01 25.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -99.75 119.48 38.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.3 pp20? -114.98 154.46 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.1 mp -121.63 115.26 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.96 106.68 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 79' ' ' TYR . 12.3 mt -71.4 117.03 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.33 0.32 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -106.54 97.44 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.52 -15.92 58.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -93.95 19.47 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -130.15 142.84 46.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.27 3.8 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 -31.29 48.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.34 -23.67 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.7 -10.84 59.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CE1' HD23 ' A' ' 69' ' ' LEU . 41.4 m-85 -110.56 4.96 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 t 71.61 26.72 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.9 t -80.61 114.71 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -118.04 166.12 12.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.9 136.56 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.43 -29.25 10.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.463 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 1.2 m-20 -57.1 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -126.55 141.87 51.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 130.8 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.58 108.71 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' CD1' ' A' ' 46' ' ' LEU . 25.1 t -88.92 133.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -146.05 162.49 37.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 35.5 p90 -167.71 141.49 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -131.29 124.43 30.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.96 81.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 83.53 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -68.58 123.75 21.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 82.6 p -71.55 126.22 29.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 p -118.62 -58.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -55.71 -53.34 57.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.17 5.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -48.71 160.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -44.99 -56.15 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.88 121.58 23.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.77 140.12 51.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 29' ' ' LEU . 2.4 mm? -66.17 141.95 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.57 119.81 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -78.73 105.86 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 87' ' ' LEU . 11.5 mt -126.24 174.5 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -120.03 116.08 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.84 126.61 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -145.02 115.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m -79.5 118.47 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -60.37 -54.47 45.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 16.8 m-20 -52.44 -16.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -117.08 91.07 35.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -35.86 12.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.35 -47.49 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -40.12 124.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.81 147.84 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -65.66 144.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.71 -174.97 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -143.46 116.55 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -130.49 135.34 47.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' C ' HD21 ' A' ' 29' ' ' LEU . 8.3 mt-30 -100.32 121.46 41.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.3 mm? -133.26 146.48 61.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.62 10.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -43.56 -25.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -65.01 -42.71 94.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.444 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.8 ttp -40.99 112.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -58.87 139.04 57.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 70.7 t -41.27 -33.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.53 -46.59 82.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 1.5 mmmp? -55.05 -52.89 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.13 -40.99 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 71.7 mttt -65.74 -43.51 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.73 75.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.05 -34.26 77.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -93.76 -26.76 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -51.31 -38.58 53.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -85.05 -8.96 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -90.77 -53.97 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD11 ' CZ3' ' A' ' 91' ' ' TRP . 29.5 mt -91.81 7.01 43.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 57.03 39.43 29.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 21.2 t -120.22 136.76 25.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.76 132.57 23.62 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -48.57 -22.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.0 p -69.56 -42.65 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -82.92 -21.62 34.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.31 129.36 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.7 mt -124.11 102.72 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.24 128.84 35.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -137.55 123.78 20.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -98.88 144.1 28.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 114.77 28.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.9 p -67.06 112.05 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.6 t -46.07 -58.34 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -41.48 -42.16 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 tpp -116.86 84.61 16.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.83 19.76 78.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -148.09 120.64 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.2 pp20? -108.07 155.26 20.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.92 116.74 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.84 116.55 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 79' ' ' TYR . 6.3 mt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.47 -34.45 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -70.1 120.76 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -29.34 12.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.11 -4.24 56.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -101.5 141.64 23.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 179.03 4.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -76.31 -34.66 59.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.44 -26.22 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -30.68 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CD2' HD22 ' A' ' 69' ' ' LEU . 63.1 m-85 -96.35 25.49 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m 54.73 41.52 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.0 t -90.48 131.45 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -131.99 -174.59 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.56 140.55 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.03 -37.4 3.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.7 OUTLIER -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 88.6 m -105.07 140.95 37.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 12' ' ' LEU . 69.7 mt -105.44 122.48 46.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -112.3 114.04 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.3 t -102.41 97.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 152.43 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CZ3' HD11 ' A' ' 46' ' ' LEU . 24.3 p90 -152.09 149.89 29.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.8 t -90.36 148.23 22.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.55 -76.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 151.69 69.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.0 p -56.58 144.48 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -137.72 142.38 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m 51.52 44.55 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.922 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -96.88 156.27 16.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 -89.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -76.87 168.89 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.4 p -103.28 -44.69 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.87 156.96 53.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -94.19 157.46 16.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mp -82.24 132.15 35.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.69 139.73 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -97.39 94.01 6.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -112.86 160.9 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -105.59 126.71 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.41 117.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -132.92 103.38 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -60.46 128.21 35.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -75.99 131.19 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 69.7 25.56 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.57 80.02 63.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.641 2.227 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -42.63 -30.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 22' ' ' ARG . 17.2 ttm105 -82.48 148.1 28.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -103.49 138.73 39.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 25' ' ' LEU . 44.2 mt -62.78 142.08 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -130.72 179.73 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -138.19 122.65 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -128.08 137.81 52.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' C ' HD21 ' A' ' 29' ' ' LEU . 54.6 mt-30 -102.46 114.46 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -127.24 151.28 74.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -44.49 -24.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -66.0 -41.1 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.465 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -43.96 120.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 p -69.49 141.41 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.57 -43.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -55.18 -46.51 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -55.69 -53.07 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.07 -38.21 52.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 65.8 mttt -69.56 -41.13 76.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.28 -21.46 68.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.04 -45.65 48.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.25 -17.79 44.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -62.58 -36.74 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -74.02 -21.68 59.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.23 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.4 mt -70.49 -1.11 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 35.63 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 97.5 t -118.08 138.89 25.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.8 130.41 19.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.3 t -47.63 -21.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 t -68.41 -42.6 78.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.73 -18.28 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.7 mt -72.57 139.4 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -134.5 112.27 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -92.16 123.58 35.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 p -132.27 119.18 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -98.75 139.71 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.59 109.45 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -65.55 145.87 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 p -79.4 -22.1 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -74.93 -31.04 61.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpp -126.95 84.55 63.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.92 24.53 71.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -153.8 132.08 11.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.83 144.93 48.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.77 111.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.54 110.34 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 79' ' ' TYR . 10.8 mt -77.19 99.54 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -93.15 -35.11 13.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -71.06 92.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.6 -26.54 64.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.56 30.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.455 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 73.8 mm-40 -138.0 140.56 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.294 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -68.97 -35.15 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.485 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -61.85 -35.51 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.0 -11.66 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD2' HD23 ' A' ' 69' ' ' LEU . 33.0 m-85 -110.58 17.32 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.3 t 63.62 29.09 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.0 t -82.78 116.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -118.79 168.42 10.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 6.3 p-10 -60.2 137.79 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.2 -30.43 9.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.0 177.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.1 m -112.79 160.4 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.8 mt -126.19 120.99 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.33 106.68 16.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.5 t -94.49 98.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -125.44 155.81 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -143.01 157.23 44.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -108.27 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.46 72.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 143.73 51.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 t 46.58 44.45 13.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -89.73 109.69 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -131.36 42.72 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 54.39 43.09 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.17 80.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -85.1 150.61 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -68.6 -37.94 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.09 120.75 2.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -89.9 148.68 23.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.67 135.24 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.63 148.04 29.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 m -101.62 104.31 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.07 160.61 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -106.99 125.56 51.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.2 122.75 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -138.44 115.06 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.9 t -66.8 128.79 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.5 m -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -102.83 -28.55 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -107.84 80.63 1.03 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -43.31 2.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.64 -28.98 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -70.6 102.55 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.0 159.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.4 mt -84.67 148.31 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp -123.31 171.75 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -129.58 122.42 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -128.25 136.03 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -104.42 118.87 37.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -132.49 146.45 61.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.955 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.8 10.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -44.64 -23.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -64.83 -40.88 95.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.5 ttp -47.95 116.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 p -65.42 141.55 58.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.2 t -38.45 -32.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.85 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CE ' ' HG3' ' A' ' 33' ' ' MET . 14.4 mtmm -49.74 -42.58 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.72 -42.66 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -68.71 -42.72 77.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.79 -24.5 66.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.88 -57.49 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt -74.56 -21.54 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 t -50.01 -39.91 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.05 -19.81 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.431 ' N ' HD11 ' A' ' 45' ' ' LEU . 10.9 mp -75.37 -63.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 91' ' ' TRP . 10.5 mt -84.54 10.3 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 51.15 44.84 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 89.8 t -118.72 138.64 26.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.77 128.06 15.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -44.5 -24.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -70.26 -43.04 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -84.4 -3.47 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.05 128.24 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.12 103.78 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.92 137.52 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -145.12 120.61 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.414 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -99.9 144.49 28.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -101.11 114.81 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p -51.83 150.0 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.2 p -84.33 -1.2 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -26.54 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.3 tpp -115.69 78.44 6.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.74 31.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.62 -21.34 45.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -111.9 115.85 29.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.69 145.26 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.414 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -100.93 102.52 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' CD ' ' O ' ' A' ' 68' ' ' GLU . 2.2 pp20? -66.23 112.93 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -78.08 113.52 16.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.83 -25.17 13.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.25 100.75 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -2.56 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 mt -105.23 11.94 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -123.1 142.59 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.51 9.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.3 mm? -72.2 -34.03 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.01 -24.6 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -66.99 -16.93 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -105.53 20.65 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t 58.77 29.14 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -80.14 128.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.3 157.25 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -42.89 137.13 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.45 -43.86 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.21 170.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.9 m -117.77 143.16 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.0 mt -105.62 126.11 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.59 111.64 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.47 126.21 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 55.4 ttt180 -148.36 155.12 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 46' ' ' LEU . 49.0 p90 -149.46 148.14 29.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 t -88.72 122.04 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.33 72.92 0.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.92 34.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -90.28 149.39 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.4 t -40.05 -47.14 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -117.96 103.17 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -115.67 141.53 47.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.01 -43.42 0.95 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -67.79 141.66 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -55.56 -36.76 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.85 89.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -108.27 146.44 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -82.1 136.16 35.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.43 144.63 37.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.3 m -94.75 109.34 21.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 3.6 mt -130.87 164.77 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -108.19 126.78 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.86 124.2 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -132.73 98.0 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.95 106.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -62.97 -17.49 62.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.563 ' CB ' ' CZ2' ' A' ' 91' ' ' TRP . 9.0 m120 -91.42 -7.33 50.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -131.96 89.45 38.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.56 18.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.08 -39.15 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -54.68 123.9 14.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -66.89 150.99 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.9 mt -67.54 151.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 166.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -131.5 114.83 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' CD ' HD12 ' A' ' 29' ' ' LEU . 6.0 tmtm? -126.9 136.91 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' C ' HD22 ' A' ' 9' ' ' LEU . 61.4 mt-30 -96.0 124.42 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 27' ' ' LYS . 2.5 mm? -128.51 144.16 51.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.0 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -43.21 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' PRO . 15.7 t -66.73 -42.92 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -43.36 127.42 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' LYS . 40.2 p -74.19 135.86 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.89 -36.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -59.82 -43.13 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 17.6 mmmt -58.99 -51.52 69.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 t -50.35 -41.33 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 55' ' ' LEU . 76.0 mttt -70.9 -39.25 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.46 -26.61 74.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.453 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.79 -57.56 11.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.7 mt -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -43.39 -47.58 6.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -69.28 -25.46 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' LEU . 5.8 mp -77.76 -62.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.522 HD12 ' CZ3' ' A' ' 91' ' ' TRP . 29.8 mt -77.87 7.42 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.2 37.12 17.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 47.1 t -113.05 137.52 21.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.81 135.66 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -57.83 -29.21 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -65.29 -17.98 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -106.12 -29.15 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.26 122.53 16.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.1 mt -114.58 108.49 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.8 mm? -89.05 128.18 35.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 p -138.14 116.23 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -95.7 141.75 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.26 125.51 48.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -70.42 120.08 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 m -61.97 -28.65 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -82.78 -20.38 35.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpt -130.52 84.52 58.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.43 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.31 66.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -158.63 118.79 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 17.0 mp0 -115.62 151.34 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.72 106.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.61 110.0 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 79' ' ' TYR . 13.8 mt -73.21 89.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 14.3 pt-20 -73.34 -50.46 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' CG ' ' HG2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -70.07 113.96 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -82.98 -43.65 16.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -57.92 -20.6 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.418 ' HG2' ' CG ' ' A' ' 71' ' ' ASN . 42.0 mm-40 -81.87 134.63 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.23 17.04 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -33.33 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -65.21 -25.43 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.7 -14.26 62.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CD1' HD21 ' A' ' 69' ' ' LEU . 49.5 m-85 -109.01 11.76 25.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m 62.39 49.95 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.81 120.73 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.72 160.42 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -46.9 131.98 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.6 8.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.44 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 55.3 m-20 -62.03 168.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 62.3 m -115.2 131.41 56.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.11 130.13 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.06 111.28 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.3 t -96.13 120.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -132.78 173.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.563 ' CZ2' ' CB ' ' A' ' 18' ' ' ASN . 9.9 p90 -174.7 140.56 0.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 t -93.32 91.31 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.11 83.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.82 5.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.616 2.211 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -57.83 -48.7 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -138.74 162.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -128.01 104.01 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -127.29 115.43 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.85 -40.99 2.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -57.69 141.49 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -41.62 153.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.46 121.76 0.87 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -107.42 164.17 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -88.98 134.18 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.88 142.55 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 m -96.69 99.9 11.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -117.23 167.25 11.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -116.69 126.74 53.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.03 115.01 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 16' ' ' CYS . 5.4 tmtm? -129.56 130.96 46.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 86.1 m -81.59 104.41 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 t -54.39 -52.88 60.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -58.59 -11.36 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 24.9 mm100 -126.46 96.95 34.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.2 Cg_endo -69.77 -34.72 13.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.6 -40.96 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -46.43 104.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.71 167.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mt -108.02 144.01 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -119.54 176.94 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.06 125.85 40.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -129.4 144.24 51.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' C ' HD21 ' A' ' 29' ' ' LEU . 57.1 mt-30 -113.7 119.8 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -135.92 148.25 64.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.4 Cg_endo -69.79 124.23 10.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -43.98 -22.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 46.9 t -67.22 -41.78 85.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -46.36 116.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -62.5 146.54 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.25 -33.62 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.1 -48.0 83.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -58.7 -48.38 81.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.16 -38.3 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.6 -44.09 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.68 -25.1 67.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.31 -50.58 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.78 -29.96 51.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -46.23 -41.63 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -73.04 -26.5 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 45' ' ' LEU . 10.8 mp -75.53 -61.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.5 7.94 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 52.63 28.82 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 74.2 t -100.64 138.22 20.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 0.0 111.17 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.74 128.01 15.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -46.51 -27.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -62.51 -45.99 90.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -79.89 -40.73 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.29 104.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.0 mt -100.76 104.18 15.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.66 133.52 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 p -144.7 118.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -96.39 144.58 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -105.09 123.12 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -73.19 121.38 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.3 p -58.36 -48.95 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -19.23 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ttm -133.19 83.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.541 0.686 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.68 18.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.83 30.86 6.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -157.32 127.2 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.46 148.59 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.15 122.57 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.39 119.96 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 79' ' ' TYR . 13.0 mt -81.92 89.26 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.69 -33.03 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.07 116.65 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 -18.96 21.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.36 2.9 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -109.54 142.16 25.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 179.58 3.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.1 mm? -74.64 -31.07 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -66.19 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.42 -34.62 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.547 ' CE1' HD22 ' A' ' 69' ' ' LEU . 77.0 m-85 -91.12 16.12 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 m 60.8 34.85 19.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.19 133.88 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.95 154.85 47.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.401 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 8.9 p-10 -41.25 142.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.25 -41.74 2.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.6 m -118.5 147.02 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 mt -109.25 118.05 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -101.63 108.46 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.5 t -91.34 123.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -135.02 170.78 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 7.8 p90 -175.02 144.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -90.19 118.2 29.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.57 -80.91 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -38.53 7.53 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 p 40.74 44.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -69.92 101.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -144.37 112.53 6.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -115.17 143.34 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.24 148.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -97.99 85.23 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 p -90.3 43.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.34 153.28 8.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -96.84 152.92 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -88.17 134.89 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -105.46 131.56 52.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -87.55 100.57 12.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.47 173.44 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 64.6 mttt -113.41 132.38 55.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.06 124.96 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -147.98 133.71 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.3 t -82.65 117.28 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.9 m -51.76 -58.0 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -54.31 -14.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.52 84.88 36.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' ARG . 4.9 tp10 -63.55 -55.29 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 15.8 mtp85 -38.28 104.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -46.14 145.88 1.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 13' ' ' LYS . 63.8 mt -74.54 128.68 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.0 -178.53 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.43 113.92 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -127.34 156.27 42.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' C ' HD22 ' A' ' 9' ' ' LEU . 49.7 mt-30 -114.33 124.05 51.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.5 mm? -134.37 143.92 48.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.2 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.1 p30 -40.73 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -63.7 -45.12 91.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.6 ttp -44.36 112.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -62.07 144.31 55.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.0 -41.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -55.06 -46.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -55.34 -54.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -52.62 -43.02 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.58 -36.57 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.29 75.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.4 -39.03 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.2 mt -89.01 -35.2 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.7 t -39.11 -39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -71.97 -37.96 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.0 tp -74.41 -57.73 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.66 4.52 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt 48.71 25.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 84.1 t -107.84 138.69 20.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.77 138.78 38.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.1 -29.15 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 t -63.01 -42.61 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.22 -28.26 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.78 142.66 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.65 115.83 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.94 129.28 36.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -132.76 119.64 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CZ ' HD12 ' A' ' 67' ' ' ILE . 3.1 p90 -99.5 146.62 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.87 115.98 26.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 1.0 OUTLIER -57.78 175.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -100.12 -23.82 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' CG ' ' SD ' ' A' ' 62' ' ' MET . 0.2 OUTLIER -89.82 -41.12 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.488 ' SD ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -107.39 71.14 0.3 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 110.823 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 54.0 Cg_endo -69.76 146.41 60.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.65 43.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -104.2 83.45 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.99 137.56 37.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.513 HD12 ' CZ ' ' A' ' 57' ' ' TYR . 5.2 mp -97.86 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.13 110.7 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 79' ' ' TYR . 7.2 mt -76.96 110.9 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.53 -21.16 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -85.06 96.65 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -24.36 63.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.4 35.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 78.2 mm-40 -144.22 136.49 13.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.8 26.42 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -66.09 -36.58 83.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 19.7 tp60 -61.96 -33.45 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.36 -25.01 61.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CD1' HD23 ' A' ' 69' ' ' LEU . 79.9 m-85 -96.79 24.56 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 35.38 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 57' ' ' TYR . 86.6 t -93.98 120.28 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.97 161.3 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -45.19 132.87 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.13 1.05 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.68 -177.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.6 m -125.1 148.36 48.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 93.5 mt -108.34 132.9 53.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -120.07 107.34 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.73 100.54 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -123.82 151.7 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -142.52 166.95 23.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -118.11 161.76 19.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.04 70.02 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 p -168.15 124.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.2 p -131.62 118.62 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -82.6 86.23 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 m -150.49 144.15 25.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.89 -97.65 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 t -123.51 110.64 15.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -118.25 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.31 153.6 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -151.65 144.58 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 29' ' ' LEU . 1.9 mm? -67.91 141.67 56.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -111.44 113.42 25.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 m -71.3 97.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 87' ' ' LEU . 14.4 mt -119.01 178.56 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -127.17 127.59 44.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 4.1 mp -96.43 135.6 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -160.28 130.21 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.575 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.8 t -77.61 117.21 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 p -59.3 -23.44 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.48 91.9 35.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -45.3 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.44 -48.94 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -42.59 109.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -56.49 140.27 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.46 144.82 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.8 172.46 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -130.08 120.18 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 1.1 mmmm -133.41 153.29 51.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' C ' HD13 ' A' ' 9' ' ' LEU . 6.2 mt-30 -116.44 122.93 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.518 ' N ' HD13 ' A' ' 9' ' ' LEU . 1.4 mm? -135.18 141.98 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' CD1' ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -45.43 -25.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -62.67 -39.68 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -49.41 130.96 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.2 p -76.4 143.09 40.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 45.3 t -42.27 -40.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.43 -46.54 80.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -53.23 -54.22 39.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.17 -38.16 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 64.0 mttt -66.74 -38.96 87.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.34 -41.95 66.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.21 -42.68 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' ARG . 15.4 mt -84.91 -37.29 20.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.9 t -33.86 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.5 mmt180 -81.41 -50.04 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.4 tp -57.47 -45.4 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.0 mt -96.87 9.02 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.23 45.2 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 92.9 t -122.88 138.77 30.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.8 131.01 20.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 39' ' ' LYS . 56.1 t -47.12 -25.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 p -68.46 -40.82 80.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 6.2 mm-40 -92.3 5.6 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' O ' ' NZ ' ' A' ' 39' ' ' LYS . 30.8 mt -98.37 91.21 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -88.94 108.46 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 3.2 mm? -87.06 139.95 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 p -145.86 119.82 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -98.03 140.46 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -102.81 125.21 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 t -66.89 133.68 50.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -63.76 -48.51 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' CE ' ' HB2' ' A' ' 62' ' ' MET . 0.0 OUTLIER -63.63 -18.24 63.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.452 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 4.2 ttm -133.85 85.94 39.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.89 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.98 67.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -39.14 2.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -80.56 121.37 25.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -116.74 144.36 44.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.71 116.94 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.7 113.99 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD2' ' CG ' ' A' ' 79' ' ' TYR . 30.9 mt -74.44 101.63 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.89 -55.46 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.95 133.29 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -98.99 -30.06 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -85.12 34.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -129.92 138.97 34.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.18 66.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.67 -35.01 54.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -58.24 -33.81 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.32 -40.29 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 95.9 m-85 -86.85 25.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.4 m 54.28 45.14 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -99.59 125.1 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -136.72 157.56 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -39.61 142.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.69 -43.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 177.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.6 m -118.72 148.79 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 12' ' ' LEU . 39.4 mt -112.41 126.63 55.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.6 mt -118.55 123.6 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.17 122.24 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -134.88 146.99 49.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.575 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 19.5 p90 -149.5 139.2 21.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.9 t -104.29 147.85 27.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.2 83.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.1 Cg_endo -69.77 -1.56 8.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' PRO . 15.1 m -35.62 96.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' PRO . 89.3 p -141.13 126.26 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 54.6 p -153.35 143.16 22.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.8 m -37.73 -55.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 81.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t 61.61 40.18 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -107.45 83.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.95 116.68 0.85 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -110.12 151.26 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mp -87.56 135.05 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD11 ' CG ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -103.38 140.44 37.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -96.02 104.63 16.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -124.21 167.75 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -116.35 131.17 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.43 119.42 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -124.66 124.99 43.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -76.37 99.12 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -49.36 -53.49 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -59.91 -29.64 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -107.47 93.18 9.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.246 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -64.73 -34.47 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' NH1' ' HG2' ' A' ' 23' ' ' GLN . 2.3 tpm_? -47.0 131.71 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HG2' ' NH1' ' A' ' 22' ' ' ARG . 10.8 pt20 -67.83 162.89 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 mt -102.18 142.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -116.49 177.13 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -136.94 121.41 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 15.1 tptm -132.22 149.1 52.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 43.4 mt-30 -112.52 123.49 50.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -133.61 145.9 58.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.9 13.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' CG ' HD11 ' A' ' 10' ' ' LEU . 15.7 t0 -49.89 -23.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -67.49 -33.4 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.0 ttt -46.0 150.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -93.39 134.7 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.9 t -39.34 -38.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.53 -53.44 57.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.56 -54.72 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.9 t -49.16 -35.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.05 -35.49 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.09 -21.95 78.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -73.4 -41.04 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.6 -19.76 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -56.12 -28.74 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.65 -16.86 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -81.1 -64.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.68 4.63 21.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 57.38 39.89 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 33.0 t -115.16 137.03 22.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.2 Cg_endo -69.73 132.6 23.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.406 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.36 -21.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -73.67 -37.58 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.91 -4.49 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.5 mt -87.15 115.92 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.11 102.82 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -86.94 137.05 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -140.51 117.85 11.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.92 131.38 42.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -94.58 118.9 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -75.4 132.57 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -65.93 -49.41 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -47.45 -37.99 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 tpt -118.76 82.6 20.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.99 29.65 17.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -161.65 117.42 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.78 152.01 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.57 112.32 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.14 111.73 9.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 79' ' ' TYR . 12.5 mt -74.65 107.27 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -89.94 -31.69 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.444 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 8.8 t-20 -85.38 145.54 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -113.71 -46.76 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.578 ' N ' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.79 -15.34 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.444 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 18.6 mm-40 -84.61 138.6 38.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.64 0.733 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 76' ' ' LEU . 3.7 mm? -71.64 -35.65 70.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.32 -24.84 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.73 -33.89 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD2' HD23 ' A' ' 69' ' ' LEU . 64.7 m-85 -86.75 11.67 12.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m 62.78 38.3 11.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -86.63 123.16 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -124.39 157.03 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -51.5 138.22 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 -23.21 26.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -64.66 176.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.9 m -123.33 124.82 43.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.58 116.82 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mt -98.15 112.53 24.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.4 t -95.08 95.98 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.38 139.44 51.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.1 p90 -143.08 144.24 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -86.32 105.89 16.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.06 82.98 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -31.25 20.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.375 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.1 m -46.63 116.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -76.78 166.8 22.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -65.44 174.71 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -86.56 41.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.59 178.52 14.57 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -101.57 41.07 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.61 153.28 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.24 109.71 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -107.48 161.83 14.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.9 mp -83.91 142.86 30.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD11 ' CG ' ' A' ' 31' ' ' ASP . 1.6 mt -117.86 134.15 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -88.08 95.11 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.81 158.68 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -107.08 122.7 46.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 116.75 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -125.57 125.23 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 m -71.73 147.01 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 t -87.32 128.93 35.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.3 t30 63.26 32.09 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -134.29 90.39 25.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -46.51 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.389 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.01 -32.23 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -70.72 96.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.61 149.81 24.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.9 mt -79.62 134.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.96 174.5 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -133.4 118.35 18.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -128.32 150.07 50.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' C ' HD23 ' A' ' 29' ' ' LEU . 63.1 mt-30 -114.96 114.73 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -127.22 147.72 63.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.9 Cg_endo -69.72 119.21 6.19 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 77' ' ' GLN . 13.8 t0 -42.36 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PRO . 6.8 t -65.61 -44.22 87.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.1 ttp -41.58 137.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -82.52 141.5 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.2 t -42.79 -35.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -56.02 -56.74 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -50.17 -54.53 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -46.23 -48.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 53' ' ' LEU . 42.8 mttt -66.8 -43.36 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.0 -25.21 67.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.24 -35.36 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LEU . 68.3 mt -84.06 -36.07 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 4.2 t -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.7 mmt-85 -71.76 -33.31 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.8 mp -72.75 -59.43 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 19.2 mt -88.46 23.11 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 32.76 51.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 89.4 t -129.08 139.13 34.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.651 0.738 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 134.34 27.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.19 -24.53 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -64.33 -21.3 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -108.25 -31.68 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 64.8 mt -61.82 107.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.67 115.06 28.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 55' ' ' LEU . 3.4 mm? -90.2 139.87 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 p -145.61 118.97 8.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.7 p90 -95.36 141.44 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -103.78 104.9 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.6 p -46.62 122.35 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.0 m -56.27 -42.82 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 62' ' ' MET . 36.8 pttt -63.22 -43.27 98.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.431 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 9.5 ttt -115.65 82.0 9.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.12 67.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.49 -36.58 3.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -93.27 88.72 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.63 144.82 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.516 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.3 mp -104.88 119.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -77.12 117.61 18.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' A' ' 79' ' ' TYR . 15.3 mt -86.82 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -79.41 -40.54 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.56 100.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.14 -28.04 57.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.32 33.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -136.03 138.24 27.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 152.06 69.01 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 76' ' ' LEU . 3.1 mm? -54.92 -29.9 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.496 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 4.4 pp0? -63.92 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.62 -36.08 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CE2' HD21 ' A' ' 69' ' ' LEU . 77.1 m-85 -87.75 17.66 4.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m 57.85 42.35 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.7 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.04 161.91 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.03 146.79 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.95 -39.77 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.48 176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.1 m -117.1 141.14 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.1 mt -101.24 116.92 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.49 118.26 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -103.38 104.57 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -127.93 136.13 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -130.08 156.03 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.9 t -104.34 155.92 18.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -151.86 84.18 0.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 161.2 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t -105.62 104.72 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -76.21 146.47 39.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -131.77 164.35 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -50.64 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.56 38.64 93.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -64.69 -48.26 75.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.29 110.68 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 13.9 pt20 -87.68 137.57 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -73.82 131.49 41.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.88 148.18 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -97.7 113.58 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' CD2' ' CG ' ' A' ' 85' ' ' ASP . 1.9 mt -130.89 160.13 35.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.27 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.03 121.03 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 25.6 tttp -135.4 110.36 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m -66.52 134.54 52.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -78.59 136.22 37.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 60.28 25.16 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -125.19 77.19 67.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.87 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -42.08 -41.64 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH1' HD23 ' A' ' 46' ' ' LEU . 17.2 ttt180 -81.23 166.17 20.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -118.02 165.74 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 15' ' ' LYS . 21.2 mm -70.64 138.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.26 156.35 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -119.33 120.41 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -133.68 131.31 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' C ' HD22 ' A' ' 9' ' ' LEU . 52.6 mt-30 -92.65 128.5 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 28' ' ' GLN . 2.7 mm? -130.79 141.75 43.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.52 14.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 8' ' ' GLN . 9.3 p-10 -45.74 -25.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t -67.46 -38.37 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttt -41.44 115.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 45.9 p -68.5 132.48 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' THR . 15.3 t -34.93 -34.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' THR . 22.7 tt0 -65.08 -46.81 79.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' THR . 15.0 mmmt -53.97 -46.84 71.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.79 -59.6 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.5 mptt -47.08 -40.06 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.37 92.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.63 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ARG . 6.9 mt -72.41 -40.53 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.1 t -34.02 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' LEU . 13.4 mmp_? -84.49 -51.62 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 tp -53.92 -46.56 71.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.416 HD23 ' NH1' ' A' ' 22' ' ' ARG . 10.2 mt -94.91 1.21 55.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 54.02 37.83 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 98.4 t -110.95 138.93 21.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 54.3 Cg_endo -69.7 133.41 25.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.254 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 24.1 t -51.79 -19.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -72.47 -31.77 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -94.87 -23.4 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.1 mt -70.75 136.17 48.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -143.85 110.49 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.72 138.25 31.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -140.28 120.54 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.442 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -98.71 142.35 30.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.77 121.76 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 p -66.63 100.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' SER . 65.5 m -35.31 -56.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -49.13 -49.51 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.24 84.1 13.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 160.31 50.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.31 -15.06 47.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -114.42 86.28 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.29 145.32 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.442 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.9 mp -104.77 111.73 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -68.78 113.44 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 79' ' ' TYR . 23.4 mt -77.78 106.34 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.62 -62.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.459 ' ND2' ' CG ' ' A' ' 74' ' ' GLN . 7.6 t-20 -47.85 127.12 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.7 OUTLIER -98.54 -34.8 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.88 -6.92 50.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.459 ' CG ' ' ND2' ' A' ' 71' ' ' ASN . 28.9 mm-40 -99.87 136.09 20.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.52 3.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 2.6 mm? -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.29 -26.82 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.79 -30.85 71.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 69' ' ' LEU . 79.3 m-85 -91.92 11.87 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.0 m 62.29 44.03 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.8 t -100.21 135.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.88 166.64 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -53.19 138.04 32.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.01 -42.35 1.94 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.512 ' CG ' ' CD2' ' A' ' 12' ' ' LEU . 1.4 p30 -60.79 169.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 m -105.73 162.12 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.8 mt -122.89 119.99 32.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.18 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.5 t -100.26 105.19 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -131.08 134.83 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -128.21 141.89 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 t -104.46 104.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.42 70.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.73 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -51.27 134.95 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -47.07 153.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -42.82 94.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -67.76 -57.86 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.17 -39.16 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -114.09 152.72 30.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -106.99 -179.97 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.42 157.51 27.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -79.17 137.29 37.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.484 HD11 ' N ' ' A' ' 29' ' ' LEU . 1.5 mm? -63.36 135.82 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.55 118.75 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -77.53 108.76 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 mt -126.41 153.92 44.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -104.78 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.52 122.75 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -135.18 105.3 6.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 m -67.81 128.49 36.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 t -73.52 -36.45 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.569 ' OD1' ' CH2' ' A' ' 91' ' ' TRP . 1.9 p30 -73.43 -10.54 59.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -128.63 83.6 65.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -30.69 22.25 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.296 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.68 -45.0 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -50.43 124.55 10.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.45 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.417 ' C ' HD11 ' A' ' 25' ' ' LEU . 97.3 mt -104.85 138.76 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -110.86 177.26 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.17 142.53 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -149.42 143.84 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -117.72 114.53 23.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.44 143.69 49.92 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 134.58 28.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -52.99 -26.4 15.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -66.1 -26.29 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 ttt -54.05 140.12 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 14.2 p -88.4 133.57 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 43.9 t -35.3 -44.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -54.47 -51.28 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -53.74 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.18 -51.42 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 96.4 mttt -56.11 -39.01 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.56 -36.84 92.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.04 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.0 mt -78.21 -29.08 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -46.93 -29.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.43 -25.14 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.2 mp -69.98 -58.14 4.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 mt -91.82 2.27 56.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.74 46.83 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 49' ' ' PRO . 99.5 t -115.92 138.96 24.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.8 125.12 11.76 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.63 -28.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -62.19 -34.97 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.57 -42.74 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 48' ' ' VAL . 13.9 mt -39.2 110.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.25 102.96 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.7 mp -94.87 131.27 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -142.73 120.15 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.1 p90 -95.58 141.29 29.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -97.04 119.17 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.0 m -81.36 127.34 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -53.23 -60.16 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -41.65 -41.85 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 mmt -117.6 84.81 19.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.846 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 135.4 30.18 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.48 -15.94 58.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -98.54 87.82 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -78.25 150.15 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.436 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 3.4 mp -115.27 101.98 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.6 109.82 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 79' ' ' TYR . 12.4 mt -74.82 112.86 11.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -100.14 -50.05 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.16 113.2 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -15.88 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.56 15.31 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -119.73 138.52 26.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 161.8 44.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.05 -32.52 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -61.02 -34.24 74.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.04 -25.18 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 69' ' ' LEU . 75.6 m-85 -98.84 21.72 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 t 52.9 33.71 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 82' ' ' GLU . 94.3 t -85.86 135.19 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 81' ' ' VAL . 12.5 pt-20 -142.66 152.07 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -39.4 140.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.94 -51.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -46.4 167.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.82 146.0 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.7 mt -107.01 116.67 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 mt -105.61 107.04 17.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.9 t -88.87 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -162.2 178.4 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.569 ' CH2' ' OD1' ' A' ' 18' ' ' ASN . 38.6 p90 -171.65 169.33 6.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -146.43 160.69 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.98 127.14 3.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.52 10.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.378 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -41.27 128.87 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t -149.05 124.31 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -45.06 -51.93 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -47.66 155.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.81 62.49 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -125.51 99.78 6.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -91.64 95.94 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 155.96 1.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -151.11 163.0 39.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD21 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -89.75 140.75 29.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.99 141.73 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -101.0 103.2 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -123.85 168.97 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -108.59 138.49 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.16 131.42 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -149.71 122.99 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.5 m -75.42 107.8 7.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.0 m -56.83 -41.91 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -67.98 -9.28 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -128.79 93.74 36.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -69.61 -48.58 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -44.62 116.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -61.52 156.22 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 mt -80.02 143.11 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.03 -176.46 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -144.92 121.48 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -120.69 152.81 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' C ' HD21 ' A' ' 9' ' ' LEU . 35.0 mt-30 -122.53 114.13 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -129.42 150.87 76.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 119.34 6.3 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -46.6 -20.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -67.44 -39.72 85.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.433 ' HG2' ' CB ' ' A' ' 37' ' ' LYS . 2.3 ttp -48.81 136.17 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' VAL . 11.4 p -77.51 141.86 39.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' THR . 86.4 t -36.92 -48.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.62 -52.59 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' CB ' ' HG2' ' A' ' 33' ' ' MET . 6.9 mmtp -54.1 -43.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.52 -38.07 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -71.24 -51.83 22.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.38 -15.67 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.92 -43.21 65.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 64.7 mt -88.62 -37.48 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.9 t -33.92 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -65.44 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 tp -60.75 -53.95 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.97 8.21 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 48.3 28.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 91' ' ' TRP . 95.3 t -103.83 136.86 19.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.64 -27.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -65.24 -21.42 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -109.06 -39.54 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.82 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 25.9 mt -94.91 97.88 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 7.8 mp -94.07 139.04 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -143.37 124.72 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -104.11 146.99 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.24 124.92 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -77.48 154.86 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 t -78.34 -24.51 46.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 62' ' ' MET . 10.1 ptpp? -73.59 -42.23 61.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 62' ' ' MET . 6.9 ptt? -112.44 82.86 4.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.32 64.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.6 63.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -151.04 120.17 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 150.86 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 67' ' ' ILE . 4.1 mp -110.88 108.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.09 115.06 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 mt -82.34 113.37 20.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.54 -9.81 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.92 118.53 28.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -21.79 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.56 30.67 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -136.84 135.89 20.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.89 -33.61 75.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -60.27 -33.6 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.62 -30.89 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 22.81 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m 51.74 25.27 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.3 t -76.22 117.62 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.5 163.47 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 83' ' ' ASN . 11.0 t-20 -54.65 127.95 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.61 -39.68 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.65 -177.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.2 m -121.41 150.2 41.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.5 114.33 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.47 110.17 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.56 131.6 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LEU . 69.7 ttt180 -157.35 147.32 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.415 ' CD1' HG22 ' A' ' 48' ' ' VAL . 41.7 p90 -144.34 162.24 36.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 t -99.68 100.36 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.06 69.15 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.72 23.66 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.4 t -75.29 144.91 42.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -136.09 117.21 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.8 mp -88.49 132.39 34.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -110.7 102.54 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 85' ' ' ASP . 4.4 mt -121.06 174.74 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -118.39 128.54 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.98 132.54 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -148.23 118.75 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.594 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 5.6 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.506 ' C ' HD13 ' A' ' 25' ' ' LEU . 23.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.838 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -117.11 172.98 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.48 128.53 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -126.89 135.28 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 29' ' ' LEU . 83.2 mt-30 -102.98 116.75 33.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -132.26 146.9 63.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 127.02 14.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.79 -26.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -66.17 -40.07 90.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttt -39.89 135.22 1.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' GLN . 32.4 p -86.55 133.06 33.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 18.8 t -36.67 -32.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 6.6 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -55.72 -47.71 76.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 33' ' ' MET . 58.3 t -54.8 -39.15 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HG2' HD23 ' A' ' 55' ' ' LEU . 74.1 mttt -72.86 -38.09 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 50' ' ' VAL . . . -70.6 -29.09 70.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.46 -43.2 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 45' ' ' LEU . 9.7 mt -82.64 -23.67 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -49.57 -45.17 47.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -72.38 -21.92 61.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.779 HD12 HD23 ' A' ' 42' ' ' LEU . 86.8 mt -76.13 -63.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.5 mt -83.32 13.89 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.76 31.89 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' LEU . 22.3 t -110.61 136.83 20.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 133.02 24.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG2' ' HA2' ' A' ' 40' ' ' GLY . 52.4 t -44.15 -23.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -70.45 -44.14 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 50.8 mt-10 -87.62 6.68 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 11.8 mt -98.17 92.34 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -92.42 106.05 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.896 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -87.52 132.9 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.3 p -138.71 121.59 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 81' ' ' VAL . 1.5 p90 -100.45 145.05 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -100.27 113.49 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -76.16 117.47 17.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -49.71 -58.1 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -40.47 -40.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpp -117.35 86.81 22.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.91 47.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.72 77.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -152.92 121.08 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 31.9 mp0 -109.15 146.11 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -109.0 109.35 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.65 107.58 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.9 mt -72.38 102.15 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -87.1 -27.66 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.48 124.09 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -95.16 -36.07 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.83 -6.77 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -95.14 136.96 22.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 178.35 4.65 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.7 mm? -75.91 -33.07 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.17 -20.56 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.83 -27.73 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CG ' HD22 ' A' ' 69' ' ' LEU . 84.7 m-85 -98.98 24.6 7.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t 53.14 37.83 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 57' ' ' TYR . 84.4 t -89.09 118.59 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -127.7 154.23 45.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -38.6 143.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.27 10.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 3.5 t70 -55.55 178.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.5 m -125.65 129.65 50.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.7 132.32 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.72 115.7 23.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.98 110.18 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 91' ' ' TRP . 0.0 OUTLIER -121.81 141.56 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 23.2 p90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 28' ' ' GLN . 1.9 mp -79.55 130.23 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -104.96 140.68 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.3 m -95.34 101.75 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 HD21 ' A' ' 87' ' ' LEU . 8.4 mt -120.86 176.44 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -121.52 124.94 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.1 127.85 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -139.36 114.7 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.81 166.16 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.65 114.76 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -126.63 147.8 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.556 ' C ' HD22 ' A' ' 29' ' ' LEU . 42.8 mt-30 -117.5 117.1 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.733 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -126.43 148.83 65.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.37 14.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -49.31 -24.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 1.9 ttp -48.94 125.1 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 p -70.85 146.4 49.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.01 -35.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -60.01 -46.98 87.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.62 -36.14 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.812 ' CG ' HD23 ' A' ' 55' ' ' LEU . 72.0 mttt -73.04 -36.22 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.6 68.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.39 -41.22 85.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 89' ' ' VAL . 18.1 mt -84.29 -22.81 30.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -53.53 -44.68 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -74.22 -24.23 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.47 -60.35 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.7 mt -88.86 15.25 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.86 41.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 49' ' ' PRO . 87.5 t -112.77 138.69 22.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.4 Cg_endo -69.72 127.68 14.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.6 t -49.93 -23.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 t -68.09 -45.71 73.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.84 -30.59 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.6 mt -53.02 149.7 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -144.02 110.91 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -94.17 132.0 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -141.6 117.03 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.8 p90 -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -105.88 111.83 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 m -64.54 120.06 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -48.75 -63.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.31 85.19 15.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.03 41.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.54 -31.66 6.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -91.0 93.54 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -85.01 148.36 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.6 mp -105.72 114.75 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.72 103.32 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 79' ' ' TYR . 12.4 mt -69.09 109.64 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.9 -17.86 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -93.67 -30.65 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -84.22 34.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -137.93 139.15 25.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.629 2.22 . . . . 0.0 112.376 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -61.95 -25.18 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.76 -27.96 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 69' ' ' LEU . 80.4 m-85 -97.63 18.42 15.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m 61.21 31.53 19.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CD2' ' A' ' 57' ' ' TYR . 79.1 t -80.81 124.2 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -127.13 157.32 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.72 141.99 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.48 -19.15 46.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -70.82 168.32 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 99.0 m -112.92 133.94 54.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD21 HD13 ' A' ' 12' ' ' LEU . 89.7 mt -97.28 123.94 41.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.45 107.27 17.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 42' ' ' LEU . 85.3 t -90.32 124.41 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -135.94 175.4 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.4 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.518 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.9 mp -80.36 129.53 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -108.08 142.49 38.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.6 m -92.72 106.88 18.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.0 151.54 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HD2' HG21 ' A' ' 24' ' ' ILE . 27.4 mtmt -101.11 120.03 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.91 123.38 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -132.32 130.46 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.714 ' C ' HD13 ' A' ' 25' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.873 0.368 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -115.91 160.0 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -117.79 133.59 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -155.08 136.88 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.509 ' C ' HD22 ' A' ' 29' ' ' LEU . 48.5 mt-30 -102.72 121.27 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.9 mm? -123.29 145.26 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.297 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.3 p30 -40.57 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' PRO . 27.9 t -65.1 -45.44 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -39.8 122.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -71.99 142.65 49.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -42.6 -28.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -68.18 -41.44 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.72 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.32 -44.57 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.705 ' CG ' HD23 ' A' ' 55' ' ' LEU . 60.0 mttt -70.13 -29.13 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.27 -16.66 77.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -77.39 -44.07 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 45' ' ' LEU . 42.7 mt -88.93 -18.19 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -53.87 -43.73 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -72.4 -21.73 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 42' ' ' LEU . 12.9 mt -78.86 -64.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 48' ' ' VAL . 18.6 mt -78.44 8.08 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 1.8 mppt? 51.62 37.08 18.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.0 t -113.13 138.88 22.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.76 131.52 21.41 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.438 HG22 ' C ' ' A' ' 39' ' ' LYS . 20.0 t -50.74 -23.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -69.25 -42.79 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.94 -18.87 35.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.544 ' HG ' HG12 ' A' ' 48' ' ' VAL . 19.1 mt -73.31 120.93 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.12 111.33 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.705 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.27 141.14 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -145.42 120.15 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -100.64 141.59 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -102.36 112.21 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -69.47 114.96 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -51.32 -55.78 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -44.77 -41.46 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.21 82.22 7.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.68 69.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 26.96 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -152.94 136.03 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -124.31 141.32 52.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -108.1 104.85 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.84 105.22 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 55' ' ' LEU . 16.4 mt -65.21 96.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.43 -57.94 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.56 123.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.55 -27.7 15.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.73 24.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -126.78 140.78 38.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.84 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -68.89 -33.37 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.37 -25.42 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -70.54 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' HD22 ' A' ' 69' ' ' LEU . 53.0 m-85 -104.26 16.15 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.0 t 58.89 46.69 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 57' ' ' TYR . 26.4 t -100.42 126.46 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.54 160.16 36.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -47.89 141.25 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.34 -38.93 3.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -54.9 172.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -116.96 147.84 41.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -105.07 122.36 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -109.92 105.68 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.5 124.64 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -159.32 139.53 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.3 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -86.81 134.79 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -103.68 148.47 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -103.7 101.37 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -125.69 161.91 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -108.06 133.23 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.61 120.43 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -133.49 111.39 10.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.838 0.351 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.62 -178.77 5.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -145.9 114.37 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 29' ' ' LEU . 16.2 mmmt -125.09 153.16 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.86 ' C ' HD22 ' A' ' 29' ' ' LEU . 52.9 mt-30 -113.67 119.32 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.86 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.6 mm? -131.45 150.95 77.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.25 8.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB3' HD21 ' A' ' 10' ' ' LEU . 28.2 p-10 -43.2 -24.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.7 ttp -41.25 111.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 p -62.34 142.96 57.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -43.3 -27.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -67.36 -49.98 61.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -56.01 -54.08 49.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.05 -40.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CG ' HD23 ' A' ' 55' ' ' LEU . 67.4 mttt -70.39 -30.29 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.67 -4.53 87.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.4 tp -86.87 -42.76 12.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 45' ' ' LEU . 11.1 mt -89.01 -20.99 23.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -44.92 -45.12 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.407 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -76.13 -34.31 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -62.09 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -83.19 8.56 12.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? 49.38 51.88 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 49' ' ' PRO . 85.8 t -126.97 138.7 33.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.72 123.91 10.58 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 38.1 t -41.84 -27.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -65.36 -43.49 90.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -81.53 -19.65 41.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 36.7 mt -71.75 134.71 46.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.1 109.65 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.9 mm? -87.6 129.8 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -139.4 119.81 13.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.591 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 3.8 p90 -98.36 149.35 22.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.91 126.49 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -81.32 147.45 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 p -78.38 -47.37 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -52.2 -27.02 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -131.67 82.34 61.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.72 61.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.14 22.53 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -151.03 116.17 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -110.42 156.74 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.591 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.1 mp -113.44 107.26 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.81 108.79 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.6 mt -76.23 104.65 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.74 -34.45 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.05 109.78 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -13.21 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.8 mt -101.7 19.99 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -128.76 141.29 41.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.74 10.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -70.97 -34.65 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.56 -30.53 71.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.99 -14.51 16.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD2' HD22 ' A' ' 69' ' ' LEU . 46.9 m-85 -111.53 24.1 13.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t 57.01 27.49 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -81.26 117.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -125.92 165.15 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.16 137.07 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.97 -37.46 3.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.12 170.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.0 m -111.95 147.61 35.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 87' ' ' LEU . 9.8 mt -106.94 129.14 54.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.23 107.03 14.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.45 108.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 18.1 ttm180 -128.72 152.07 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.458 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.1 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 28' ' ' GLN . 2.0 mp -73.91 133.4 43.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.1 mt -110.02 128.51 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 m -86.18 101.12 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 9.4 mt -118.44 172.02 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 24' ' ' ILE . 48.5 mtmt -119.92 123.65 44.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.694 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.3 mp -89.09 123.54 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -139.37 107.12 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 2.0 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.719 ' C ' HD13 ' A' ' 25' ' ' LEU . 63.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.778 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -104.91 169.5 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.44 113.96 18.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -128.28 133.05 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 29' ' ' LEU . 36.5 mt-30 -106.68 121.3 44.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -129.71 143.38 48.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.77 122.79 9.46 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -39.61 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' PRO . 25.5 t -65.32 -45.16 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.2 ttp -40.93 129.12 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -74.46 138.84 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.22 -31.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.77 -46.05 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.69 -48.18 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.09 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.784 ' HG3' HD23 ' A' ' 55' ' ' LEU . 23.9 mttt -47.64 -31.11 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.25 -31.14 59.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.42 -48.54 78.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 89' ' ' VAL . 6.6 mt -81.34 -37.03 28.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' CA ' ' A' ' 47' ' ' LYS . 3.4 t -38.1 -42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -76.23 -36.44 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.6 mp -61.65 -58.01 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 13.4 mt -90.5 -0.12 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CA ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 60.63 32.24 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 84.6 t -101.15 138.71 20.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.1 Cg_endo -69.74 131.99 22.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.453 ' HA ' HD12 ' A' ' 53' ' ' LEU . 47.9 t -54.28 -22.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -63.24 -47.62 81.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -81.9 -35.32 29.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.9 mt -45.35 142.89 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 90' ' ' ARG . 72.9 mt -138.14 111.37 7.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.784 HD23 ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm? -93.25 130.09 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -142.92 117.46 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.507 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.3 p90 -96.83 141.21 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -104.86 119.81 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.9 p -68.93 123.39 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -52.45 -53.54 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.79 -32.0 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 ttt -127.58 85.09 61.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.61 59.77 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -44.48 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.723 HH21 HD11 ' A' ' 67' ' ' ILE . 10.4 ttp180 -79.91 112.06 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -108.39 147.28 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.723 HD11 HH21 ' A' ' 65' ' ' ARG . 4.5 mp -112.52 120.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 113.85 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.1 mt -75.46 94.26 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.47 -15.73 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.29 101.18 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -37.77 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.61 -9.98 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -96.28 142.1 24.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.53 0.681 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 76' ' ' LEU . 3.5 mm? -75.63 -36.28 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -60.43 -34.22 73.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.26 -28.6 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CG ' HD22 ' A' ' 69' ' ' LEU . 67.0 m-85 -99.75 27.43 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t 51.63 25.74 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 57' ' ' TYR . 82.2 t -79.45 136.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.43 171.3 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -57.7 140.92 50.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.23 -38.49 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 9.9 m-20 -49.2 176.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 94.5 m -120.03 136.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.88 126.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.9 mt -115.08 107.62 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.782 HG21 HD13 ' A' ' 42' ' ' LEU . 96.2 t -92.78 146.95 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' LEU . 47.3 ttp180 -159.08 143.8 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.623 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 33.0 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.2 mp -85.91 134.74 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.35 150.87 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -106.72 98.52 8.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.61 173.61 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -119.52 136.03 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -100.77 132.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 24' ' ' ILE . 4.8 tmtm? -155.83 132.7 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 15' ' ' LYS . 5.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 173.36 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.47 121.63 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -127.88 147.06 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.694 ' C ' HD22 ' A' ' 29' ' ' LEU . 64.9 mt-30 -113.23 117.72 32.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.818 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -130.34 150.0 74.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.82 9.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' ' 10' ' ' LEU . 3.0 p30 -43.11 -24.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -65.52 -42.54 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.499 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -43.95 123.6 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -71.02 141.4 50.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.3 t -42.32 -42.24 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.38 -41.77 69.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.57 -38.69 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' HD13 ' A' ' 55' ' ' LEU . 76.4 mttt -69.98 -36.88 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.01 -28.02 72.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.74 -39.77 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LEU . 23.2 mt -93.6 -22.91 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -45.94 -30.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -88.61 -24.78 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.7 mm? -72.19 -54.56 9.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.13 -4.86 57.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.38 35.25 9.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 49' ' ' PRO . 92.3 t -110.79 138.77 21.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.79 126.69 13.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.6 t -40.72 -25.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -68.7 -44.0 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 78.5 mt-10 -83.88 -6.76 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.87 104.93 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.05 103.47 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD13 ' HG2' ' A' ' 39' ' ' LYS . 6.7 mp -88.54 123.24 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -127.54 118.51 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.523 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.6 p90 -95.81 145.58 25.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -107.59 108.72 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 p -56.2 147.74 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -82.62 9.27 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -113.02 -26.35 8.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.6 mmt -123.62 85.85 52.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 129.15 17.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -8.3 63.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -114.43 114.54 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.29 139.55 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.54 125.8 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.38 111.2 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 79' ' ' TYR . 10.6 mt -73.0 87.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.13 -25.19 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.25 119.92 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.47 -21.59 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.77 -10.14 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.0 mm-40 -97.08 140.34 22.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -79.97 -30.3 39.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -69.29 -25.46 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.5 -26.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 69' ' ' LEU . 80.3 m-85 -97.04 17.42 17.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 t 60.08 26.64 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 57' ' ' TYR . 88.7 t -79.16 122.28 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -122.59 166.71 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.86 132.19 45.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.84 -34.83 4.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 179.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.07 155.09 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.29 121.59 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.34 118.17 36.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.93 107.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -139.34 142.73 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 33.2 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mp -81.81 133.61 35.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.51 150.75 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -106.48 105.39 15.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 85' ' ' ASP . 5.2 mt -129.51 169.6 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -115.7 130.46 56.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.3 mp -87.49 127.04 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -148.03 120.44 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.894 0.378 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -130.39 174.22 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -134.79 125.71 27.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -134.66 146.19 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 62.1 mt-30 -109.15 120.66 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -134.42 146.56 59.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.0 p30 -50.26 -20.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -36.13 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.8 ttp -51.89 127.2 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.0 p -69.61 135.35 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -38.19 -37.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -56.84 -49.05 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -54.57 -47.47 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.43 -37.2 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HG2' HD23 ' A' ' 55' ' ' LEU . 77.7 mttt -69.93 -35.97 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.1 -22.71 78.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -68.17 -38.61 82.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.1 mt -85.29 -37.39 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . 6.8 t -37.45 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -72.38 -42.34 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.3 tp -67.04 -50.46 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.889 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -93.58 14.44 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mptt 38.74 35.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 46' ' ' LEU . 90.3 t -108.11 138.7 20.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.82 125.4 12.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 53' ' ' LEU . 49.3 t -45.35 -24.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.2 p -68.75 -41.0 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.6 -13.3 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.4 mt -76.57 147.53 37.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' ARG . 29.4 mt -141.8 109.29 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.933 ' HB3' HD12 ' A' ' 69' ' ' LEU . 3.4 mm? -89.58 126.76 35.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.83 121.79 18.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.5 p90 -99.3 145.46 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -106.41 117.87 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -66.19 121.33 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.7 p -52.94 -33.52 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -72.62 -28.54 62.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.8 tpp -127.12 81.25 70.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.693 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.91 36.59 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.14 -21.34 45.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -106.69 85.62 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' OE1' HD13 ' A' ' 88' ' ' LEU . 10.8 pt-20 -87.09 138.54 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.42 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.5 mp -92.74 130.86 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 9.0 mp0 -79.8 119.44 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 55' ' ' LEU . 17.3 mt -85.49 74.88 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 15.5 pt-20 -69.34 -49.58 54.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.3 m120 -63.91 106.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -38.43 31.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.605 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.2 mp -62.25 -18.09 60.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -88.25 138.12 30.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 179.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -77.25 -30.02 54.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.78 -27.39 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.87 -27.12 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 69' ' ' LEU . 52.7 m-85 -94.85 19.31 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t 55.5 38.45 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 57' ' ' TYR . 69.2 t -92.86 118.98 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -124.81 164.55 19.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -52.52 134.98 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.23 -36.42 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.601 ' HB2' HD22 ' A' ' 12' ' ' LEU . 56.6 m-20 -55.21 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.7 m -128.74 123.31 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.05 124.54 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.487 HD13 ' OE1' ' A' ' 66' ' ' GLU . 6.6 mt -112.51 109.09 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 42' ' ' LEU . 70.9 t -90.64 108.8 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . 46.6 ttp180 -127.55 155.88 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.8 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.6 mm? -74.01 144.1 45.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -116.78 122.01 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -81.46 102.42 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 19.7 mt -121.67 155.62 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HD2' HG21 ' A' ' 24' ' ' ILE . 6.5 mtmp? -103.37 123.58 47.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.1 mp -86.03 116.32 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -126.31 126.53 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.545 HG21 ' HD2' ' A' ' 13' ' ' LYS . 14.3 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.911 0.386 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.88 155.15 33.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.43 121.62 32.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -137.74 148.51 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.715 ' C ' HD22 ' A' ' 29' ' ' LEU . 2.6 mt-30 -117.43 121.3 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -131.5 152.22 80.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.48 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 10' ' ' LEU . 5.7 p-10 -45.97 -20.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -66.17 -42.12 89.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 ttp -46.31 130.96 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -74.18 141.45 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 82.3 t -42.52 -34.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -57.74 -44.36 86.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -63.79 -48.38 77.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG12 HD21 ' A' ' 55' ' ' LEU . 93.1 t -58.57 -37.36 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' C ' HG22 ' A' ' 50' ' ' VAL . 90.2 mttt -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.11 -32.69 65.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.02 -42.7 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -87.14 -20.96 26.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 53' ' ' LEU . 1.5 t -50.64 -30.31 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -87.08 -19.95 27.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.16 -56.32 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.2 mt -89.57 8.54 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.53 38.25 29.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 46' ' ' LEU . 21.7 t -120.13 136.85 25.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.79 136.19 32.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.508 HG22 ' C ' ' A' ' 39' ' ' LYS . 25.3 t -46.58 -23.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -72.8 -42.28 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.65 15.04 15.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 43' ' ' SER . 17.5 mt -105.9 101.73 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.796 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -95.43 102.11 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 6.8 mp -88.66 118.13 28.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.6 p -123.84 119.84 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -96.14 143.59 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.9 127.2 48.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -64.98 140.64 58.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 p -77.98 -41.79 34.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -70.76 -20.89 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.425 ' CB ' ' HD2' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -133.55 86.05 41.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.848 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.22 20.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.01 25.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -99.75 119.48 38.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.3 pp20? -114.98 154.46 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.1 mp -121.63 115.26 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.96 106.68 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.652 HD23 ' CE1' ' A' ' 79' ' ' TYR . 12.3 mt -71.4 117.03 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.33 0.32 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -106.54 97.44 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.52 -15.92 58.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -93.95 19.47 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -130.15 142.84 46.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.27 3.8 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 -31.29 48.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.34 -23.67 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.7 -10.84 59.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.652 ' CE1' HD23 ' A' ' 69' ' ' LEU . 41.4 m-85 -110.56 4.96 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 t 71.61 26.72 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.9 t -80.61 114.71 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -118.04 166.12 12.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.9 136.56 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.43 -29.25 10.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 1.2 m-20 -57.1 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -126.55 141.87 51.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 130.8 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.58 108.71 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.92 133.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -146.05 162.49 37.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.472 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 35.5 p90 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 28' ' ' GLN . 2.4 mm? -66.17 141.95 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 31' ' ' ASP . 2.7 mt -111.57 119.81 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -78.73 105.86 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 87' ' ' LEU . 11.5 mt -126.24 174.5 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -120.03 116.08 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -87.84 126.61 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -145.02 115.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.864 0.364 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.71 -174.97 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -143.46 116.55 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -130.49 135.34 47.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.912 ' C ' HD22 ' A' ' 29' ' ' LEU . 3.3 mt-30 -100.32 121.46 41.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.912 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.3 mm? -133.26 146.48 61.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.415 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.77 123.62 10.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.554 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.6 p-10 -43.56 -25.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -65.01 -42.71 94.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.519 ' CE ' HG22 ' A' ' 38' ' ' VAL . 3.8 ttp -40.99 112.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -58.87 139.04 57.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.457 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 70.7 t -41.27 -33.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.53 -46.59 82.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -55.05 -52.89 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE ' ' A' ' 33' ' ' MET . 89.9 t -54.13 -40.99 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' HD22 ' A' ' 55' ' ' LEU . 71.7 mttt -65.74 -43.51 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.73 75.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.05 -34.26 77.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 45' ' ' LEU . 87.5 mt -93.76 -26.76 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -51.31 -38.58 53.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -85.05 -8.96 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 HD23 ' A' ' 42' ' ' LEU . 68.4 mt -90.77 -53.97 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.5 mt -91.81 7.01 43.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 57.03 39.43 29.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 49' ' ' PRO . 21.2 t -120.22 136.76 25.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.492 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.76 132.57 23.62 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -48.57 -22.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.0 p -69.56 -42.65 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -82.92 -21.62 34.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.31 129.36 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.7 mt -124.11 102.72 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 39' ' ' LYS . 6.5 mp -89.24 128.84 35.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -137.55 123.78 20.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -98.88 144.1 28.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 114.77 28.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.9 p -67.06 112.05 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.6 t -46.07 -58.34 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -41.48 -42.16 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 tpp -116.86 84.61 16.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.83 19.76 78.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -148.09 120.64 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.2 pp20? -108.07 155.26 20.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.92 116.74 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.84 116.55 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 79' ' ' TYR . 6.3 mt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.47 -34.45 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -70.1 120.76 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -29.34 12.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.11 -4.24 56.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -101.5 141.64 23.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 179.03 4.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -76.31 -34.66 59.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.44 -26.22 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -30.68 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 69' ' ' LEU . 63.1 m-85 -96.35 25.49 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m 54.73 41.52 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.0 t -90.48 131.45 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -131.99 -174.59 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.56 140.55 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.03 -37.4 3.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.7 OUTLIER -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 88.6 m -105.07 140.95 37.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 HD12 ' A' ' 12' ' ' LEU . 69.7 mt -105.44 122.48 46.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -112.3 114.04 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 42' ' ' LEU . 94.3 t -102.41 97.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 152.43 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.687 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 24.3 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.9 mp -82.24 132.15 35.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -104.69 139.73 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -97.39 94.01 6.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD11 ' A' ' 87' ' ' LEU . 7.7 mt -112.86 160.9 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -105.59 126.71 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.41 117.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -132.92 103.38 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.72 179.73 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -138.19 122.65 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.3 tppt? -128.08 137.81 52.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.64 ' C ' HD22 ' A' ' 29' ' ' LEU . 54.6 mt-30 -102.46 114.46 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.835 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -127.24 151.28 74.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' HB3' HD21 ' A' ' 10' ' ' LEU . 2.6 p30 -44.49 -24.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -66.0 -41.1 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.465 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -43.96 120.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 p -69.49 141.41 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.57 -43.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -55.18 -46.51 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -55.69 -53.07 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.07 -38.21 52.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.795 ' HG2' HD23 ' A' ' 55' ' ' LEU . 65.8 mttt -69.56 -41.13 76.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.28 -21.46 68.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.04 -45.65 48.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.25 -17.79 44.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -62.58 -36.74 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -74.02 -21.68 59.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.23 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 31.4 mt -70.49 -1.11 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 35.63 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 49' ' ' PRO . 97.5 t -118.08 138.89 25.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.8 130.41 19.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.3 t -47.63 -21.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 t -68.41 -42.6 78.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.73 -18.28 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 50' ' ' VAL . 20.7 mt -72.57 139.4 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -134.5 112.27 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.795 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -92.16 123.58 35.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 p -132.27 119.18 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -98.75 139.71 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.59 109.45 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -65.55 145.87 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 p -79.4 -22.1 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -74.93 -31.04 61.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpp -126.95 84.55 63.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.92 24.53 71.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -153.8 132.08 11.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.83 144.93 48.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.77 111.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.54 110.34 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.8 mt -77.19 99.54 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -93.15 -35.11 13.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.06 92.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.6 -26.54 64.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.56 30.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -138.0 140.56 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.294 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -68.97 -35.15 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.485 ' C ' ' CD ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.85 -35.51 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.0 -11.66 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 69' ' ' LEU . 33.0 m-85 -110.58 17.32 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.3 t 63.62 29.09 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.0 t -82.78 116.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -118.79 168.42 10.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 6.3 p-10 -60.2 137.79 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.2 -30.43 9.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.0 177.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.1 m -112.79 160.4 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.442 HD11 HD12 ' A' ' 12' ' ' LEU . 24.8 mt -126.19 120.99 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.33 106.68 16.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.5 t -94.49 98.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -125.44 155.81 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 49.0 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.67 135.24 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.63 148.04 29.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 m -101.62 104.31 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD13 HD21 ' A' ' 87' ' ' LEU . 4.0 mt -127.07 160.61 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -106.99 125.56 51.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.2 122.75 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -138.44 115.06 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.9 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 25' ' ' LEU . 32.4 mt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 24' ' ' ILE . 5.9 mp -123.31 171.75 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -129.58 122.42 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -128.25 136.03 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 28.2 mt-30 -104.42 118.87 37.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -132.49 146.45 61.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.955 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.8 10.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -44.64 -23.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -64.83 -40.88 95.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.5 ttp -47.95 116.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 p -65.42 141.55 58.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.2 t -38.45 -32.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.85 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 33' ' ' MET . 14.4 mtmm -49.74 -42.58 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.72 -42.66 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' HD13 ' A' ' 55' ' ' LEU . 81.8 mttt -68.71 -42.72 77.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.79 -24.5 66.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 45' ' ' LEU . 12.4 tp -66.88 -57.49 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 45' ' ' LEU . 9.9 mt -74.56 -21.54 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 t -50.01 -39.91 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.05 -19.81 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 42' ' ' LEU . 10.9 mp -75.37 -63.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 10.5 mt -84.54 10.3 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 51.15 44.84 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 89.8 t -118.72 138.64 26.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.77 128.06 15.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.9 t -44.5 -24.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -70.26 -43.04 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 97.7 mt-10 -84.4 -3.47 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 50' ' ' VAL . 16.4 mt -87.05 128.24 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.12 103.78 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' HG2' ' A' ' 39' ' ' LYS . 5.0 mp -86.92 137.52 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -145.12 120.61 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -99.9 144.49 28.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -101.11 114.81 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p -51.83 150.0 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.2 p -84.33 -1.2 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -26.54 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.3 tpp -115.69 78.44 6.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.74 31.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.62 -21.34 45.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -111.9 115.85 29.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.69 145.26 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.427 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -100.93 102.52 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' CD ' ' O ' ' A' ' 68' ' ' GLU . 2.2 pp20? -66.23 112.93 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 55' ' ' LEU . 3.9 mt -78.08 113.52 16.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.83 -25.17 13.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.25 100.75 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -2.56 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 mt -105.23 11.94 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 mm-40 -123.1 142.59 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.51 9.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -72.2 -34.03 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.01 -24.6 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -66.99 -16.93 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -105.53 20.65 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t 58.77 29.14 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -80.14 128.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.3 157.25 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -42.89 137.13 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.45 -43.86 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.21 170.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.9 m -117.77 143.16 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 12' ' ' LEU . 89.0 mt -105.62 126.11 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.59 111.64 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.47 126.21 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 55.4 ttt180 -148.36 155.12 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 49.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -82.1 136.16 35.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 9' ' ' LEU . 1.1 mt -109.43 144.63 37.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.3 m -94.75 109.34 21.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 3.6 mt -130.87 164.77 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -108.19 126.78 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.86 124.2 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -132.73 98.0 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 25' ' ' LEU . 38.9 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -134.33 166.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -131.5 114.83 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.682 ' HD2' HD21 ' A' ' 29' ' ' LEU . 6.0 tmtm? -126.9 136.91 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 29' ' ' LEU . 61.4 mt-30 -96.0 124.42 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' HD2' ' A' ' 27' ' ' LYS . 2.5 mm? -128.51 144.16 51.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.0 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -43.21 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' PRO . 15.7 t -66.73 -42.92 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -43.36 127.42 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' LYS . 40.2 p -74.19 135.86 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.89 -36.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 17.4 tt0 -59.82 -43.13 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 17.6 mmmt -58.99 -51.52 69.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 t -50.35 -41.33 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.82 ' CG ' HD23 ' A' ' 55' ' ' LEU . 76.0 mttt -70.9 -39.25 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.46 -26.61 74.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.453 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.79 -57.56 11.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.7 mt -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -43.39 -47.58 6.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -69.28 -25.46 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' LEU . 5.8 mp -77.76 -62.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.68 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.8 mt -77.87 7.42 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 51.2 37.12 17.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 49' ' ' PRO . 47.1 t -113.05 137.52 21.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.81 135.66 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -57.83 -29.21 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -65.29 -17.98 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -106.12 -29.15 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.26 122.53 16.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.1 mt -114.58 108.49 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.05 128.18 35.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 88' ' ' LEU . 9.2 p -138.14 116.23 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -95.7 141.75 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.26 125.51 48.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -70.42 120.08 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 m -61.97 -28.65 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -82.78 -20.38 35.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpt -130.52 84.52 58.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.43 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.31 66.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -158.63 118.79 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 17.0 mp0 -115.62 151.34 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.5 mp -113.72 106.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.61 110.0 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 ' CG ' ' A' ' 79' ' ' TYR . 13.8 mt -73.21 89.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 14.3 pt-20 -73.34 -50.46 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 74' ' ' GLN . 10.8 t-20 -70.07 113.96 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -82.98 -43.65 16.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -57.92 -20.6 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.443 ' HG2' ' CG ' ' A' ' 71' ' ' ASN . 42.0 mm-40 -81.87 134.63 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.23 17.04 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -64.44 -33.33 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -65.21 -25.43 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.7 -14.26 62.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.712 ' CG ' HD22 ' A' ' 69' ' ' LEU . 49.5 m-85 -109.01 11.76 25.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m 62.39 49.95 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.81 120.73 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.72 160.42 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -46.9 131.98 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.6 8.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 55.3 m-20 -62.03 168.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 62.3 m -115.2 131.41 56.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 87' ' ' LEU . 9.9 mt -95.11 130.13 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 56' ' ' SER . 7.7 mt -119.06 111.28 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.3 t -96.13 120.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -132.78 173.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.68 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 9.9 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -88.98 134.18 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.88 142.55 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 m -96.69 99.9 11.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 87' ' ' LEU . 5.4 mt -117.23 167.25 11.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -116.69 126.74 53.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mp -94.03 115.01 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 16' ' ' CYS . 5.4 tmtm? -129.56 130.96 46.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 86.1 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 25' ' ' LEU . 33.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.846 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -119.54 176.94 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.06 125.85 40.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -129.4 144.24 51.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.82 ' C ' HD22 ' A' ' 29' ' ' LEU . 57.1 mt-30 -113.7 119.8 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -135.92 148.25 64.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.4 Cg_endo -69.79 124.23 10.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -43.98 -22.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 46.9 t -67.22 -41.78 85.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -46.36 116.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -62.5 146.54 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.25 -33.62 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.1 -48.0 83.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -58.7 -48.38 81.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.16 -38.3 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HG2' HD13 ' A' ' 55' ' ' LEU . 91.0 mttt -67.6 -44.09 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.68 -25.1 67.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.31 -50.58 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 45' ' ' LEU . 43.6 mt -77.78 -29.96 51.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -46.23 -41.63 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -73.04 -26.5 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 HD23 ' A' ' 42' ' ' LEU . 10.8 mp -75.53 -61.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.6 mt -83.5 7.94 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 52.63 28.82 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 49' ' ' PRO . 74.2 t -100.64 138.22 20.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 0.0 111.17 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.74 128.01 15.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -46.51 -27.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -62.51 -45.99 90.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -79.89 -40.73 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.29 104.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.0 mt -100.76 104.18 15.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.0 mp -89.66 133.52 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 p -144.7 118.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -96.39 144.58 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -105.09 123.12 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -73.19 121.38 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.3 p -58.36 -48.95 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -19.23 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ttm -133.19 83.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.541 0.686 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.68 18.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.83 30.86 6.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -157.32 127.2 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.46 148.59 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.8 mp -114.15 122.57 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.39 119.96 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' A' ' 79' ' ' TYR . 13.0 mt -81.92 89.26 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.69 -33.03 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.07 116.65 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 -18.96 21.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.36 2.9 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -109.54 142.16 25.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 179.58 3.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.1 mm? -74.64 -31.07 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -66.19 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.42 -34.62 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.762 ' CD2' HD22 ' A' ' 69' ' ' LEU . 77.0 m-85 -91.12 16.12 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 m 60.8 34.85 19.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.19 133.88 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.95 154.85 47.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 8.9 p-10 -41.25 142.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.25 -41.74 2.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.6 m -118.5 147.02 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.401 HD11 HD12 ' A' ' 12' ' ' LEU . 29.3 mt -109.25 118.05 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -101.63 108.46 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' CG2' HG23 ' A' ' 14' ' ' ILE . 92.5 t -91.34 123.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -135.02 170.78 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.508 ' CB ' HG11 ' A' ' 48' ' ' VAL . 7.8 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -88.17 134.89 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -105.46 131.56 52.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -87.55 100.57 12.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.47 173.44 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 64.6 mttt -113.41 132.38 55.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 HG23 ' A' ' 89' ' ' VAL . 5.4 mp -103.06 124.96 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -147.98 133.71 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 13' ' ' LYS . 63.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.0 -178.53 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.43 113.92 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -127.34 156.27 42.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.813 ' C ' HD22 ' A' ' 29' ' ' LEU . 49.7 mt-30 -114.33 124.05 51.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.5 mm? -134.37 143.92 48.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.2 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.1 p30 -40.73 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -63.7 -45.12 91.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.6 ttp -44.36 112.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -62.07 144.31 55.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 74' ' ' GLN . 85.1 t -43.0 -41.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -55.06 -46.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -55.34 -54.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -52.62 -43.02 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HG2' HD23 ' A' ' 55' ' ' LEU . 93.4 mttt -69.58 -36.57 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.29 75.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.4 -39.03 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.2 mt -89.01 -35.2 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.7 t -39.11 -39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -71.97 -37.96 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.0 tp -74.41 -57.73 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 mt -74.66 4.52 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt 48.71 25.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 46' ' ' LEU . 84.1 t -107.84 138.69 20.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.77 138.78 38.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.1 -29.15 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 t -63.01 -42.61 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.22 -28.26 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 62.0 mt -66.78 142.66 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.65 115.83 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.8 mm? -90.94 129.28 36.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -132.76 119.64 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.68 ' CD2' HG22 ' A' ' 81' ' ' VAL . 3.1 p90 -99.5 146.62 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.87 115.98 26.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 1.0 OUTLIER -57.78 175.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -100.12 -23.82 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' CG ' ' SD ' ' A' ' 62' ' ' MET . 0.2 OUTLIER -89.82 -41.12 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.488 ' SD ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -107.39 71.14 0.3 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 110.823 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 61' ' ' LYS . 54.0 Cg_endo -69.76 146.41 60.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.65 43.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -104.2 83.45 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -78.99 137.56 37.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.577 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -97.86 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.13 110.7 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 79' ' ' TYR . 7.2 mt -76.96 110.9 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.53 -21.16 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -85.06 96.65 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -24.36 63.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.4 35.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 78.2 mm-40 -144.22 136.49 13.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.8 26.42 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -66.09 -36.58 83.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -61.96 -33.45 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.36 -25.01 61.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 69' ' ' LEU . 79.9 m-85 -96.79 24.56 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 35.38 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 57' ' ' TYR . 86.6 t -93.98 120.28 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.97 161.3 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -45.19 132.87 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.13 1.05 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.68 -177.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.6 m -125.1 148.36 48.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 93.5 mt -108.34 132.9 53.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -120.07 107.34 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 14' ' ' ILE . 47.3 t -86.73 100.54 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -123.82 151.7 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 42.1 p90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.59 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.9 mm? -67.91 141.67 56.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 31' ' ' ASP . 6.6 mt -111.44 113.42 25.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 m -71.3 97.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -119.01 178.56 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -127.17 127.59 44.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 4.1 mp -96.43 135.6 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -160.28 130.21 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.575 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.8 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.901 0.382 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.8 172.46 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -130.08 120.18 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 29' ' ' LEU . 1.1 mmmm -133.41 153.29 51.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.936 ' C ' HD22 ' A' ' 29' ' ' LEU . 6.2 mt-30 -116.44 122.93 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.936 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.4 mm? -135.18 141.98 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.755 ' HB3' HD11 ' A' ' 10' ' ' LEU . 11.6 p-10 -45.43 -25.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -62.67 -39.68 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -49.41 130.96 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.2 p -76.4 143.09 40.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 69' ' ' LEU . 45.3 t -42.27 -40.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.43 -46.54 80.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -53.23 -54.22 39.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.17 -38.16 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.853 ' HG2' HD23 ' A' ' 55' ' ' LEU . 64.0 mttt -66.74 -38.96 87.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.34 -41.95 66.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.21 -42.68 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' ARG . 15.4 mt -84.91 -37.29 20.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 53' ' ' LEU . 4.9 t -33.86 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.5 mmt180 -81.41 -50.04 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.4 tp -57.47 -45.4 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mt -96.87 9.02 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.23 45.2 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 46' ' ' LEU . 92.9 t -122.88 138.77 30.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.8 131.01 20.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 53' ' ' LEU . 56.1 t -47.12 -25.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 p -68.46 -40.82 80.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 6.2 mm-40 -92.3 5.6 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.62 ' HG ' HG12 ' A' ' 48' ' ' VAL . 30.8 mt -98.37 91.21 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -88.94 108.46 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.2 mm? -87.06 139.95 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 p -145.86 119.82 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -98.03 140.46 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -102.81 125.21 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 t -66.89 133.68 50.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -63.76 -48.51 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 62' ' ' MET . 0.0 OUTLIER -63.63 -18.24 63.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.47 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 4.2 ttm -133.85 85.94 39.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.89 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.98 67.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -39.14 2.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -80.56 121.37 25.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -116.74 144.36 44.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.9 mp -107.71 116.94 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.7 113.99 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 79' ' ' TYR . 30.9 mt -74.44 101.63 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.89 -55.46 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.95 133.29 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -98.99 -30.06 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -85.12 34.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -129.92 138.97 34.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.18 66.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.67 -35.01 54.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -58.24 -33.81 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.32 -40.29 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 69' ' ' LEU . 95.9 m-85 -86.85 25.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.4 m 54.28 45.14 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -99.59 125.1 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -136.72 157.56 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -39.61 142.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.69 -43.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 177.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.6 m -118.72 148.79 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.41 126.63 55.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.6 mt -118.55 123.6 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.17 122.24 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -134.88 146.99 49.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.575 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 19.5 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -87.56 135.05 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' CG ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -103.38 140.44 37.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -96.02 104.63 16.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 85' ' ' ASP . 8.6 mt -124.21 167.75 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -116.35 131.17 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.551 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.9 mp -95.43 119.42 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -124.66 124.99 43.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 25' ' ' LEU . 16.1 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.82 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -116.49 177.13 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -136.94 121.41 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 15.1 tptm -132.22 149.1 52.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.748 ' C ' HD22 ' A' ' 29' ' ' LEU . 43.4 mt-30 -112.52 123.49 50.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -133.61 145.9 58.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.9 13.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' CG ' HD11 ' A' ' 10' ' ' LEU . 15.7 t0 -49.89 -23.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -67.49 -33.4 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.471 ' SD ' HG22 ' A' ' 38' ' ' VAL . 2.0 ttt -46.0 150.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -93.39 134.7 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.9 t -39.34 -38.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.53 -53.44 57.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.56 -54.72 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.471 HG22 ' SD ' ' A' ' 33' ' ' MET . 63.9 t -49.16 -35.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.05 -35.49 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.09 -21.95 78.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -73.4 -41.04 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 HD12 ' A' ' 45' ' ' LEU . 16.9 mt -88.6 -19.76 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -56.12 -28.74 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.65 -16.86 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 42' ' ' LEU . 18.1 mt -81.1 -64.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.68 4.63 21.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 57.38 39.89 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 49' ' ' PRO . 33.0 t -115.16 137.03 22.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.2 Cg_endo -69.73 132.6 23.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.406 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.9 t -48.36 -21.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -73.67 -37.58 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.91 -4.49 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' VAL . 14.5 mt -87.15 115.92 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.11 102.82 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 5.8 mp -86.94 137.05 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -140.51 117.85 11.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.92 131.38 42.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -94.58 118.9 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -75.4 132.57 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -65.93 -49.41 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -47.45 -37.99 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 tpt -118.76 82.6 20.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.99 29.65 17.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -161.65 117.42 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.78 152.01 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.57 112.32 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.14 111.73 9.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.5 mt -74.65 107.27 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -89.94 -31.69 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.467 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 8.8 t-20 -85.38 145.54 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -113.71 -46.76 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.79 -15.34 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.467 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 18.6 mm-40 -84.61 138.6 38.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.64 0.733 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.7 mm? -71.64 -35.65 70.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.32 -24.84 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.73 -33.89 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD1' HD23 ' A' ' 69' ' ' LEU . 64.7 m-85 -86.75 11.67 12.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m 62.78 38.3 11.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -86.63 123.16 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -124.39 157.03 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -51.5 138.22 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 -23.21 26.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' HB2' HD22 ' A' ' 12' ' ' LEU . 58.6 m-20 -64.66 176.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.9 m -123.33 124.82 43.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.58 116.82 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mt -98.15 112.53 24.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.551 ' CG2' HG23 ' A' ' 14' ' ' ILE . 45.4 t -95.08 95.98 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.38 139.44 51.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 28' ' ' GLN . 1.9 mp -83.91 142.86 30.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 31' ' ' ASP . 1.6 mt -117.86 134.15 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -88.08 95.11 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 85' ' ' ASP . 12.6 mt -116.81 158.68 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -107.08 122.7 46.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 116.75 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -125.57 125.23 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD13 ' A' ' 25' ' ' LEU . 62.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.855 0.36 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -109.96 174.5 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -133.4 118.35 18.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.7 tttp -128.32 150.07 50.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.873 ' C ' HD22 ' A' ' 29' ' ' LEU . 63.1 mt-30 -114.96 114.73 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -127.22 147.72 63.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.9 Cg_endo -69.72 119.21 6.19 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CG ' HD11 ' A' ' 10' ' ' LEU . 13.8 t0 -42.36 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PRO . 6.8 t -65.61 -44.22 87.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.1 ttp -41.58 137.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -82.52 141.5 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.2 t -42.79 -35.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -56.02 -56.74 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -50.17 -54.53 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -46.23 -48.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 53' ' ' LEU . 42.8 mttt -66.8 -43.36 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.0 -25.21 67.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.628 HD21 ' HE2' ' A' ' 27' ' ' LYS . 4.3 tp -76.24 -35.36 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LEU . 68.3 mt -84.06 -36.07 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 4.2 t -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.7 mmt-85 -71.76 -33.31 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.8 mp -72.75 -59.43 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.054 ' O ' HG23 ' A' ' 48' ' ' VAL . 19.2 mt -88.46 23.11 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 32.76 51.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 46' ' ' LEU . 89.4 t -129.08 139.13 34.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.651 0.738 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.683 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 134.34 27.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.19 -24.53 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -64.33 -21.3 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -108.25 -31.68 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' HG ' HG12 ' A' ' 48' ' ' VAL . 64.8 mt -61.82 107.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.67 115.06 28.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.2 139.87 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 p -145.61 118.97 8.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 2.7 p90 -95.36 141.44 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -103.78 104.9 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.6 p -46.62 122.35 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.0 m -56.27 -42.82 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' MET . 36.8 pttt -63.22 -43.27 98.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 9.5 ttt -115.65 82.0 9.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.12 67.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.49 -36.58 3.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -93.27 88.72 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.63 144.82 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.561 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.3 mp -104.88 119.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -77.12 117.61 18.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.3 mt -86.82 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -79.41 -40.54 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.56 100.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.14 -28.04 57.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.32 33.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -136.03 138.24 27.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 152.06 69.01 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.1 mm? -54.92 -29.9 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.496 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 4.4 pp0? -63.92 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.62 -36.08 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.693 ' CD1' HD22 ' A' ' 69' ' ' LEU . 77.1 m-85 -87.75 17.66 4.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m 57.85 42.35 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.7 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.04 161.91 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -51.03 146.79 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.95 -39.77 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.417 ' HB3' HD22 ' A' ' 12' ' ' LEU . 7.5 t70 -53.48 176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.1 m -117.1 141.14 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.1 mt -101.24 116.92 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.49 118.26 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -103.38 104.57 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -127.93 136.13 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 13.9 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -73.82 131.49 41.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -102.88 148.18 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -97.7 113.58 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.868 HD22 ' OD1' ' A' ' 85' ' ' ASP . 1.9 mt -130.89 160.13 35.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ2' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -106.27 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.03 121.03 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.676 ' HB2' HD12 ' A' ' 24' ' ' ILE . 25.6 tttp -135.4 110.36 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 15' ' ' LYS . 21.2 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.809 0.338 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.26 156.35 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -119.33 120.41 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 29' ' ' LEU . 2.1 tmtp? -133.68 131.31 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.594 ' O ' HD13 ' A' ' 29' ' ' LEU . 52.6 mt-30 -92.65 128.5 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 28' ' ' GLN . 2.7 mm? -130.79 141.75 43.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.52 14.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 8' ' ' GLN . 9.3 p-10 -45.74 -25.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t -67.46 -38.37 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttt -41.44 115.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 45.9 p -68.5 132.48 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' THR . 15.3 t -34.93 -34.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 22.7 tt0 -65.08 -46.81 79.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' THR . 15.0 mmmt -53.97 -46.84 71.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.79 -59.6 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.5 mptt -47.08 -40.06 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.37 92.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.63 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ARG . 6.9 mt -72.41 -40.53 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.1 t -34.02 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' LEU . 13.4 mmp_? -84.49 -51.62 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 45' ' ' LEU . 6.5 tp -53.92 -46.56 71.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -94.91 1.21 55.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 54.02 37.83 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.4 t -110.95 138.93 21.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.3 Cg_endo -69.7 133.41 25.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.254 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.813 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.1 t -51.79 -19.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -72.47 -31.77 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -94.87 -23.4 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.1 mt -70.75 136.17 48.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -143.85 110.49 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG22 ' A' ' 89' ' ' VAL . 2.4 mm? -88.72 138.25 31.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -140.28 120.54 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -98.71 142.35 30.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.77 121.76 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 p -66.63 100.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' SER . 65.5 m -35.31 -56.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -49.13 -49.51 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.24 84.1 13.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 160.31 50.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.31 -15.06 47.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -114.42 86.28 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -82.29 145.32 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.9 mp -104.77 111.73 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -68.78 113.44 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 79' ' ' TYR . 23.4 mt -77.78 106.34 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.62 -62.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 7.6 t-20 -47.85 127.12 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.7 OUTLIER -98.54 -34.8 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.88 -6.92 50.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.483 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 28.9 mm-40 -99.87 136.09 20.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.52 3.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.29 -26.82 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.79 -30.85 71.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CD2' HD23 ' A' ' 69' ' ' LEU . 79.3 m-85 -91.92 11.87 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.0 m 62.29 44.03 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.518 HG13 ' OD2' ' A' ' 85' ' ' ASP . 87.8 t -100.21 135.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.88 166.64 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -53.19 138.04 32.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.01 -42.35 1.94 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.868 ' OD1' HD22 ' A' ' 12' ' ' LEU . 1.4 p30 -60.79 169.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 m -105.73 162.12 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 12' ' ' LEU . 11.8 mt -122.89 119.99 32.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.18 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 HD11 ' A' ' 55' ' ' LEU . 86.5 t -100.26 105.19 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -131.08 134.83 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.6 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.5 mm? -63.36 135.82 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.55 118.75 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -77.53 108.76 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.623 HD22 ' CG ' ' A' ' 85' ' ' ASP . 11.8 mt -126.41 153.92 44.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -104.78 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.52 122.75 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -135.18 105.3 6.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.857 ' C ' HD13 ' A' ' 25' ' ' LEU . 97.3 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -110.86 177.26 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.17 142.53 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' HD21 ' A' ' 29' ' ' LEU . 12.8 mmtm -149.42 143.84 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.782 ' C ' HD22 ' A' ' 29' ' ' LEU . 9.3 mt-30 -117.72 114.53 23.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.787 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.44 143.69 49.92 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.43 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.73 134.58 28.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -52.99 -26.4 15.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -66.1 -26.29 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.486 ' SD ' HG22 ' A' ' 38' ' ' VAL . 3.0 ttt -54.05 140.12 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 14.2 p -88.4 133.57 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 43.9 t -35.3 -44.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -54.47 -51.28 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -53.74 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.486 HG22 ' SD ' ' A' ' 33' ' ' MET . 86.2 t -54.18 -51.42 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 55' ' ' LEU . 96.4 mttt -56.11 -39.01 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.56 -36.84 92.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.1 tp -58.04 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -78.21 -29.08 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -46.93 -29.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.43 -25.14 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -69.98 -58.14 4.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.1 mt -91.82 2.27 56.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.74 46.83 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG13 ' HD2' ' A' ' 49' ' ' PRO . 99.5 t -115.92 138.96 24.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.682 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.8 125.12 11.76 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.2 t -49.63 -28.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -62.19 -34.97 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.57 -42.74 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HG ' HG12 ' A' ' 48' ' ' VAL . 13.9 mt -39.2 110.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.25 102.96 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.7 mp -94.87 131.27 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -142.73 120.15 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.1 p90 -95.58 141.29 29.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -97.04 119.17 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.0 m -81.36 127.34 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -53.23 -60.16 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -41.65 -41.85 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 mmt -117.6 84.81 19.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.846 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 135.4 30.18 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.48 -15.94 58.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -98.54 87.82 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -78.25 150.15 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.45 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 3.4 mp -115.27 101.98 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.6 109.82 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.4 mt -74.82 112.86 11.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 16.7 pt-20 -100.14 -50.05 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 74' ' ' GLN . 4.1 t-20 -61.16 113.2 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -15.88 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.56 15.31 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HG3' ' CG ' ' A' ' 71' ' ' ASN . 17.6 mm-40 -119.73 138.52 26.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 161.8 44.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.6 mm? -60.05 -32.52 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.02 -34.24 74.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.04 -25.18 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -98.84 21.72 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 t 52.9 33.71 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.72 HG13 ' OD2' ' A' ' 85' ' ' ASP . 94.3 t -85.86 135.19 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.66 152.07 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -39.4 140.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.94 -51.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.72 ' OD2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -46.4 167.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.82 146.0 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 12' ' ' LEU . 16.7 mt -107.01 116.67 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 mt -105.61 107.04 17.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.9 t -88.87 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -162.2 178.4 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.429 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 38.6 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -89.75 140.75 29.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -108.99 141.73 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -101.0 103.2 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 87' ' ' LEU . 6.0 mt -123.85 168.97 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -108.59 138.49 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -110.16 131.42 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -149.71 122.99 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.03 -176.46 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -144.92 121.48 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -120.69 152.81 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.707 ' C ' HD22 ' A' ' 29' ' ' LEU . 35.0 mt-30 -122.53 114.13 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -129.42 150.87 76.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 119.34 6.3 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 10' ' ' LEU . 7.9 p-10 -46.6 -20.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -67.44 -39.72 85.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 37' ' ' LYS . 2.3 ttp -48.81 136.17 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' VAL . 11.4 p -77.51 141.86 39.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.4 t -36.92 -48.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.62 -52.59 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 33' ' ' MET . 6.9 mmtp -54.1 -43.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 76' ' ' LEU . 17.9 t -60.52 -38.07 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HZ1' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -71.24 -51.83 22.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.38 -15.67 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.92 -43.21 65.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 64.7 mt -88.62 -37.48 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.9 t -33.92 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -65.44 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 tp -60.75 -53.95 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.838 HD22 ' CH2' ' A' ' 91' ' ' TRP . 16.7 mt -87.97 8.21 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 48.3 28.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 46' ' ' LEU . 95.3 t -103.83 136.86 19.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.7 Cg_endo -69.79 138.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.8 t -58.64 -27.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -65.24 -21.42 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -109.06 -39.54 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 17.0 mt -38.82 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.91 97.88 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' A' ' 69' ' ' LEU . 7.8 mp -94.07 139.04 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -143.37 124.72 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -104.11 146.99 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.24 124.92 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -77.48 154.86 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 t -78.34 -24.51 46.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' MET . 10.1 ptpp? -73.59 -42.23 61.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.936 ' HE3' HD11 ' A' ' 67' ' ' ILE . 6.9 ptt? -112.44 82.86 4.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.32 64.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.6 63.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -151.04 120.17 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 150.86 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.936 HD11 ' HE3' ' A' ' 62' ' ' MET . 4.1 mp -110.88 108.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.09 115.06 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 55' ' ' LEU . 2.3 mt -82.34 113.37 20.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.54 -9.81 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.92 118.53 28.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -21.79 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.56 30.67 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.6 mm100 -136.84 135.89 20.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD21 HG21 ' A' ' 38' ' ' VAL . 3.1 mm? -67.89 -33.61 75.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -60.27 -33.6 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.62 -30.89 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HD23 ' A' ' 69' ' ' LEU . 48.9 m-85 -93.04 22.81 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m 51.74 25.27 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.3 t -76.22 117.62 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.5 163.47 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 83' ' ' ASN . 11.0 t-20 -54.65 127.95 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.61 -39.68 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.65 -177.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.2 m -121.41 150.2 41.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 12' ' ' LEU . 90.3 mt -118.5 114.33 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.47 110.17 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.56 131.6 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -157.35 147.32 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.838 ' CH2' HD22 ' A' ' 46' ' ' LEU . 41.7 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -89.0 -57.53 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m 59.75 42.95 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.75 -171.93 44.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -78.01 -45.42 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 p -47.1 121.65 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.15 133.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -108.15 153.24 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.8 mp -88.49 132.39 34.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -110.7 102.54 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 85' ' ' ASP . 4.4 mt -121.06 174.74 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -118.39 128.54 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.98 132.54 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -148.23 118.75 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.594 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 5.6 t -58.03 130.46 46.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 m -72.55 -35.07 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.75 -26.75 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -114.72 85.07 10.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -40.51 5.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.378 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.5 -46.36 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -43.16 120.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -47.13 161.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.506 ' C ' HD13 ' A' ' 25' ' ' LEU . 23.2 mt -100.0 135.89 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.838 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -117.11 172.98 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.48 128.53 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -126.89 135.28 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 29' ' ' LEU . 83.2 mt-30 -102.98 116.75 33.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -132.26 146.9 63.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 127.02 14.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.79 -26.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -66.17 -40.07 90.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttt -39.89 135.22 1.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' GLN . 32.4 p -86.55 133.06 33.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 18.8 t -36.67 -32.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 6.6 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -55.72 -47.71 76.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 33' ' ' MET . 58.3 t -54.8 -39.15 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HG2' HD23 ' A' ' 55' ' ' LEU . 74.1 mttt -72.86 -38.09 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 50' ' ' VAL . . . -70.6 -29.09 70.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.46 -43.2 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 45' ' ' LEU . 9.7 mt -82.64 -23.67 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -49.57 -45.17 47.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -72.38 -21.92 61.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD12 HD23 ' A' ' 42' ' ' LEU . 86.8 mt -76.13 -63.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.5 mt -83.32 13.89 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.76 31.89 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' LEU . 22.3 t -110.61 136.83 20.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 133.02 24.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG2' ' HA2' ' A' ' 40' ' ' GLY . 52.4 t -44.15 -23.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -70.45 -44.14 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 50.8 mt-10 -87.62 6.68 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 11.8 mt -98.17 92.34 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -92.42 106.05 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.896 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -87.52 132.9 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.3 p -138.71 121.59 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 81' ' ' VAL . 1.5 p90 -100.45 145.05 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -100.27 113.49 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -76.16 117.47 17.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -49.71 -58.1 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -40.47 -40.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpp -117.35 86.81 22.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.91 47.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.72 77.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -152.92 121.08 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 31.9 mp0 -109.15 146.11 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -109.0 109.35 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.65 107.58 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.9 mt -72.38 102.15 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -87.1 -27.66 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.48 124.09 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -95.16 -36.07 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.83 -6.77 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -95.14 136.96 22.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 178.35 4.65 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.7 mm? -75.91 -33.07 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.17 -20.56 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.83 -27.73 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CG ' HD22 ' A' ' 69' ' ' LEU . 84.7 m-85 -98.98 24.6 7.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t 53.14 37.83 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 57' ' ' TYR . 84.4 t -89.09 118.59 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -127.7 154.23 45.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -38.6 143.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.27 10.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 3.5 t70 -55.55 178.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.5 m -125.65 129.65 50.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.7 132.32 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.72 115.7 23.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.98 110.18 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 91' ' ' TRP . 0.0 OUTLIER -121.81 141.56 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 23.2 p90 -147.91 142.33 26.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -108.87 147.77 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.74 -73.62 1.16 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -59.67 160.46 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -158.52 120.76 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 44.85 41.93 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -59.76 174.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.89 -179.12 47.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -124.55 39.51 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -98.83 36.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.93 121.42 4.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -142.44 148.2 37.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 28' ' ' GLN . 1.9 mp -79.55 130.23 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -104.96 140.68 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.3 m -95.34 101.75 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 HD21 ' A' ' 87' ' ' LEU . 8.4 mt -120.86 176.44 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -121.52 124.94 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.1 127.85 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -139.36 114.7 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.77 114.23 20.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -62.63 -43.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -66.28 -5.12 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -132.81 90.9 30.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -13.93 35.36 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -98.62 -35.26 10.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -41.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.73 139.15 21.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.4 mt -71.1 152.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.81 166.16 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.65 114.76 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -126.63 147.8 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.556 ' C ' HD22 ' A' ' 29' ' ' LEU . 42.8 mt-30 -117.5 117.1 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.733 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -126.43 148.83 65.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.37 14.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -49.31 -24.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 1.9 ttp -48.94 125.1 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 p -70.85 146.4 49.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.01 -35.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -60.01 -46.98 87.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.62 -36.14 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.812 ' CG ' HD23 ' A' ' 55' ' ' LEU . 72.0 mttt -73.04 -36.22 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.6 68.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.39 -41.22 85.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 89' ' ' VAL . 18.1 mt -84.29 -22.81 30.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -53.53 -44.68 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -74.22 -24.23 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.47 -60.35 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.7 mt -88.86 15.25 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.86 41.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 49' ' ' PRO . 87.5 t -112.77 138.69 22.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.4 Cg_endo -69.72 127.68 14.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.6 t -49.93 -23.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 t -68.09 -45.71 73.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.84 -30.59 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.6 mt -53.02 149.7 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -144.02 110.91 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -94.17 132.0 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -141.6 117.03 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.8 p90 -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -105.88 111.83 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 m -64.54 120.06 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -48.75 -63.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.31 85.19 15.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.03 41.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.54 -31.66 6.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -91.0 93.54 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -85.01 148.36 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.6 mp -105.72 114.75 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.72 103.32 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 79' ' ' TYR . 12.4 mt -69.09 109.64 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.9 -17.86 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -93.67 -30.65 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -84.22 34.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -137.93 139.15 25.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.629 2.22 . . . . 0.0 112.376 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -61.95 -25.18 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.76 -27.96 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 69' ' ' LEU . 80.4 m-85 -97.63 18.42 15.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m 61.21 31.53 19.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CD2' ' A' ' 57' ' ' TYR . 79.1 t -80.81 124.2 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -127.13 157.32 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.72 141.99 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.48 -19.15 46.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -70.82 168.32 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 99.0 m -112.92 133.94 54.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD21 HD13 ' A' ' 12' ' ' LEU . 89.7 mt -97.28 123.94 41.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.45 107.27 17.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 42' ' ' LEU . 85.3 t -90.32 124.41 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -135.94 175.4 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.4 p90 -175.03 155.73 2.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.0 t -115.28 140.65 48.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.93 80.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.25 11.93 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 m -116.52 57.04 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.785 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.9 p -138.85 152.08 47.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -74.9 97.35 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -94.54 98.31 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.74 113.04 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -51.94 -61.02 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -114.08 81.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.24 154.44 6.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -140.73 163.97 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.9 mp -80.36 129.53 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -108.08 142.49 38.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.6 m -92.72 106.88 18.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.0 151.54 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HD2' HG21 ' A' ' 24' ' ' ILE . 27.4 mtmt -101.11 120.03 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.91 123.38 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -132.32 130.46 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 m -89.52 98.78 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -45.27 -60.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -54.01 -21.68 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' ' 22' ' ' ARG . 36.5 mm-40 -114.78 86.44 13.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.85 30.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.13 -27.15 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HG3' ' CB ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -58.44 109.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.27 155.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.714 ' C ' HD13 ' A' ' 25' ' ' LEU . 5.3 mp -86.72 139.66 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -115.91 160.0 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -117.79 133.59 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -155.08 136.88 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.509 ' C ' HD22 ' A' ' 29' ' ' LEU . 48.5 mt-30 -102.72 121.27 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.9 mm? -123.29 145.26 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.297 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.3 p30 -40.57 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' PRO . 27.9 t -65.1 -45.44 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -39.8 122.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -71.99 142.65 49.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -42.6 -28.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -68.18 -41.44 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.72 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.32 -44.57 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.705 ' CG ' HD23 ' A' ' 55' ' ' LEU . 60.0 mttt -70.13 -29.13 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.27 -16.66 77.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -77.39 -44.07 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 45' ' ' LEU . 42.7 mt -88.93 -18.19 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -53.87 -43.73 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -72.4 -21.73 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 42' ' ' LEU . 12.9 mt -78.86 -64.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 48' ' ' VAL . 18.6 mt -78.44 8.08 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 1.8 mppt? 51.62 37.08 18.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.0 t -113.13 138.88 22.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.76 131.52 21.41 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.438 HG22 ' C ' ' A' ' 39' ' ' LYS . 20.0 t -50.74 -23.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -69.25 -42.79 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.94 -18.87 35.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.544 ' HG ' HG12 ' A' ' 48' ' ' VAL . 19.1 mt -73.31 120.93 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.12 111.33 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.705 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.27 141.14 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -145.42 120.15 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -100.64 141.59 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -102.36 112.21 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -69.47 114.96 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -51.32 -55.78 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -44.77 -41.46 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.21 82.22 7.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.68 69.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 26.96 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -152.94 136.03 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -124.31 141.32 52.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -108.1 104.85 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.84 105.22 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 55' ' ' LEU . 16.4 mt -65.21 96.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.43 -57.94 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.56 123.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.55 -27.7 15.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.73 24.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -126.78 140.78 38.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.84 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -68.89 -33.37 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.37 -25.42 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -70.54 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' HD22 ' A' ' 69' ' ' LEU . 53.0 m-85 -104.26 16.15 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.0 t 58.89 46.69 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 57' ' ' TYR . 26.4 t -100.42 126.46 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.54 160.16 36.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -47.89 141.25 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.34 -38.93 3.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -54.9 172.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -116.96 147.84 41.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -105.07 122.36 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -109.92 105.68 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.5 124.64 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -159.32 139.53 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -116.68 179.58 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -150.69 115.85 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.81 71.71 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.99 4.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -81.73 130.14 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 t -146.33 140.66 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -132.3 110.34 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -124.54 -49.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.86 93.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -152.65 176.86 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -59.62 -43.39 93.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.21 132.27 10.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -86.81 134.79 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -103.68 148.47 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -103.7 101.37 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -125.69 161.91 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -108.06 133.23 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.61 120.43 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -133.49 111.39 10.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 19' ' ' GLN . 68.3 m -66.72 130.57 43.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 t -67.95 147.41 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 44.96 25.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 16' ' ' CYS . 36.3 mm-40 -117.08 82.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.98 28.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.61 -39.72 77.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 124.6 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.7 mt -53.43 147.15 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.62 -178.77 5.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -145.9 114.37 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 29' ' ' LEU . 16.2 mmmt -125.09 153.16 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.86 ' C ' HD22 ' A' ' 29' ' ' LEU . 52.9 mt-30 -113.67 119.32 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.86 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.6 mm? -131.45 150.95 77.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.25 8.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB3' HD21 ' A' ' 10' ' ' LEU . 28.2 p-10 -43.2 -24.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.7 ttp -41.25 111.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 p -62.34 142.96 57.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -43.3 -27.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -67.36 -49.98 61.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -56.01 -54.08 49.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.05 -40.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CG ' HD23 ' A' ' 55' ' ' LEU . 67.4 mttt -70.39 -30.29 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.67 -4.53 87.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.4 tp -86.87 -42.76 12.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 45' ' ' LEU . 11.1 mt -89.01 -20.99 23.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -44.92 -45.12 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -76.13 -34.31 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -62.09 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -83.19 8.56 12.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? 49.38 51.88 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 49' ' ' PRO . 85.8 t -126.97 138.7 33.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.72 123.91 10.58 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 38.1 t -41.84 -27.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -65.36 -43.49 90.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -81.53 -19.65 41.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 36.7 mt -71.75 134.71 46.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.1 109.65 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.9 mm? -87.6 129.8 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -139.4 119.81 13.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.591 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 3.8 p90 -98.36 149.35 22.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.91 126.49 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -81.32 147.45 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 p -78.38 -47.37 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -52.2 -27.02 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -131.67 82.34 61.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.72 61.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.14 22.53 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -151.03 116.17 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -110.42 156.74 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.591 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.1 mp -113.44 107.26 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.81 108.79 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.6 mt -76.23 104.65 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.74 -34.45 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.05 109.78 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -13.21 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.8 mt -101.7 19.99 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -128.76 141.29 41.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.74 10.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -70.97 -34.65 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.56 -30.53 71.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.99 -14.51 16.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD2' HD22 ' A' ' 69' ' ' LEU . 46.9 m-85 -111.53 24.1 13.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t 57.01 27.49 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -81.26 117.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -125.92 165.15 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.16 137.07 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.97 -37.46 3.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.12 170.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.0 m -111.95 147.61 35.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 87' ' ' LEU . 9.8 mt -106.94 129.14 54.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.23 107.03 14.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.45 108.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 18.1 ttm180 -128.72 152.07 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.458 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.1 p90 -147.85 146.01 28.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.7 t -90.2 144.23 26.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.97 81.6 0.24 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.32 36.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 m -127.38 99.69 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -121.95 -56.51 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 m -99.68 129.09 45.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -121.85 96.49 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.03 91.69 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p 47.9 26.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -95.61 95.27 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.65 157.53 22.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.72 142.98 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 28' ' ' GLN . 2.0 mp -73.91 133.4 43.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.1 mt -110.02 128.51 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 m -86.18 101.12 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 9.4 mt -118.44 172.02 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 24' ' ' ILE . 48.5 mtmt -119.92 123.65 44.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.694 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.3 mp -89.09 123.54 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -139.37 107.12 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 2.0 t -60.77 112.78 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t -48.66 -26.84 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -86.67 -30.47 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -109.88 82.66 2.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -48.71 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.4 -47.6 85.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLN . 17.3 ttm180 -38.71 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.554 HE22 HD12 ' A' ' 25' ' ' LEU . 1.5 pp0? -35.97 141.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.719 ' C ' HD13 ' A' ' 25' ' ' LEU . 63.1 mt -82.0 143.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.778 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -104.91 169.5 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.44 113.96 18.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -128.28 133.05 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 29' ' ' LEU . 36.5 mt-30 -106.68 121.3 44.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -129.71 143.38 48.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.77 122.79 9.46 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -39.61 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' PRO . 25.5 t -65.32 -45.16 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.2 ttp -40.93 129.12 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -74.46 138.84 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.22 -31.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.77 -46.05 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.69 -48.18 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.09 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.784 ' HG3' HD23 ' A' ' 55' ' ' LEU . 23.9 mttt -47.64 -31.11 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.25 -31.14 59.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.42 -48.54 78.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 89' ' ' VAL . 6.6 mt -81.34 -37.03 28.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' CA ' ' A' ' 47' ' ' LYS . 3.4 t -38.1 -42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -76.23 -36.44 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.6 mp -61.65 -58.01 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 13.4 mt -90.5 -0.12 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CA ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 60.63 32.24 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 84.6 t -101.15 138.71 20.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.1 Cg_endo -69.74 131.99 22.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.453 ' HA ' HD12 ' A' ' 53' ' ' LEU . 47.9 t -54.28 -22.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -63.24 -47.62 81.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -81.9 -35.32 29.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.9 mt -45.35 142.89 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 90' ' ' ARG . 72.9 mt -138.14 111.37 7.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.784 HD23 ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm? -93.25 130.09 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -142.92 117.46 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.507 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.3 p90 -96.83 141.21 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -104.86 119.81 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.9 p -68.93 123.39 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -52.45 -53.54 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.79 -32.0 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 ttt -127.58 85.09 61.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.61 59.77 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -44.48 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.723 HH21 HD11 ' A' ' 67' ' ' ILE . 10.4 ttp180 -79.91 112.06 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -108.39 147.28 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.723 HD11 HH21 ' A' ' 65' ' ' ARG . 4.5 mp -112.52 120.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 113.85 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.1 mt -75.46 94.26 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.47 -15.73 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.29 101.18 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -37.77 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.61 -9.98 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -96.28 142.1 24.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.53 0.681 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 76' ' ' LEU . 3.5 mm? -75.63 -36.28 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -60.43 -34.22 73.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.26 -28.6 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CG ' HD22 ' A' ' 69' ' ' LEU . 67.0 m-85 -99.75 27.43 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t 51.63 25.74 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 57' ' ' TYR . 82.2 t -79.45 136.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.43 171.3 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -57.7 140.92 50.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.23 -38.49 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 9.9 m-20 -49.2 176.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 94.5 m -120.03 136.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.88 126.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.9 mt -115.08 107.62 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.782 HG21 HD13 ' A' ' 42' ' ' LEU . 96.2 t -92.78 146.95 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' LEU . 47.3 ttp180 -159.08 143.8 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.623 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 33.0 p90 -139.43 136.85 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.3 t -104.09 134.79 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.29 67.99 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.49 32.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.745 2.296 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.0 m -41.4 -54.81 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -61.87 -58.23 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -93.7 -56.75 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -113.98 158.13 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.11 -147.71 41.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -109.07 173.37 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -86.57 125.44 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.92 149.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -100.03 149.94 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.2 mp -85.91 134.74 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.35 150.87 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -106.72 98.52 8.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.61 173.61 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -119.52 136.03 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -100.77 132.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 24' ' ' ILE . 4.8 tmtm? -155.83 132.7 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLN . 5.0 m -81.22 91.54 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -47.34 -31.67 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -84.17 22.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.7 mm100 -150.67 108.15 3.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 54.1 Cg_endo -69.73 -26.46 27.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.42 -43.17 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -39.32 113.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.29 169.08 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 15' ' ' LYS . 5.1 mt -108.37 139.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 173.36 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.47 121.63 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -127.88 147.06 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.694 ' C ' HD22 ' A' ' 29' ' ' LEU . 64.9 mt-30 -113.23 117.72 32.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.818 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -130.34 150.0 74.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.82 9.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' ' 10' ' ' LEU . 3.0 p30 -43.11 -24.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -65.52 -42.54 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.499 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -43.95 123.6 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -71.02 141.4 50.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.3 t -42.32 -42.24 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.38 -41.77 69.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.57 -38.69 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' HD13 ' A' ' 55' ' ' LEU . 76.4 mttt -69.98 -36.88 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.01 -28.02 72.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.74 -39.77 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LEU . 23.2 mt -93.6 -22.91 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -45.94 -30.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -88.61 -24.78 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.7 mm? -72.19 -54.56 9.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.13 -4.86 57.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.38 35.25 9.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 49' ' ' PRO . 92.3 t -110.79 138.77 21.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.79 126.69 13.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.6 t -40.72 -25.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -68.7 -44.0 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 78.5 mt-10 -83.88 -6.76 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.87 104.93 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.05 103.47 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD13 ' HG2' ' A' ' 39' ' ' LYS . 6.7 mp -88.54 123.24 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -127.54 118.51 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.523 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.6 p90 -95.81 145.58 25.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -107.59 108.72 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 p -56.2 147.74 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -82.62 9.27 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -113.02 -26.35 8.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.6 mmt -123.62 85.85 52.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 129.15 17.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -8.3 63.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -114.43 114.54 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.29 139.55 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.54 125.8 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.38 111.2 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 79' ' ' TYR . 10.6 mt -73.0 87.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.13 -25.19 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.25 119.92 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.47 -21.59 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.77 -10.14 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.0 mm-40 -97.08 140.34 22.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -79.97 -30.3 39.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -69.29 -25.46 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.5 -26.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 69' ' ' LEU . 80.3 m-85 -97.04 17.42 17.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 t 60.08 26.64 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 57' ' ' TYR . 88.7 t -79.16 122.28 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -122.59 166.71 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.86 132.19 45.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.84 -34.83 4.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 179.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.07 155.09 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.29 121.59 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.34 118.17 36.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.93 107.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -139.34 142.73 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 33.2 p90 -130.0 158.52 39.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -89.78 -51.59 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.74 73.55 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 169.56 18.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.0 m -44.23 109.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.7 t -77.72 125.92 30.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -77.16 136.46 38.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -131.34 -53.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.11 -60.78 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -49.36 166.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -97.2 82.4 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.42 149.42 8.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -136.96 152.22 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mp -81.81 133.61 35.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.51 150.75 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -106.48 105.39 15.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 85' ' ' ASP . 5.2 mt -129.51 169.6 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -115.7 130.46 56.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.3 mp -87.49 127.04 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -148.03 120.44 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' SG ' ' CG ' ' A' ' 19' ' ' GLN . 54.1 t -69.1 133.28 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -81.42 -20.64 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -102.85 -4.89 24.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 9.5 mm-40 -134.02 87.32 34.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.4 3.46 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -51.78 -39.98 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -49.11 135.26 16.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -74.09 142.05 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.8 mt -76.96 144.54 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -130.39 174.22 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -134.79 125.71 27.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -134.66 146.19 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 62.1 mt-30 -109.15 120.66 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -134.42 146.56 59.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.0 p30 -50.26 -20.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -36.13 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.8 ttp -51.89 127.2 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.0 p -69.61 135.35 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -38.19 -37.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -56.84 -49.05 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -54.57 -47.47 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.43 -37.2 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HG2' HD23 ' A' ' 55' ' ' LEU . 77.7 mttt -69.93 -35.97 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.1 -22.71 78.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -68.17 -38.61 82.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.1 mt -85.29 -37.39 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . 6.8 t -37.45 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -72.38 -42.34 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.3 tp -67.04 -50.46 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.889 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -93.58 14.44 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mptt 38.74 35.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 46' ' ' LEU . 90.3 t -108.11 138.7 20.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.82 125.4 12.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 53' ' ' LEU . 49.3 t -45.35 -24.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.2 p -68.75 -41.0 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.6 -13.3 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.4 mt -76.57 147.53 37.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' ARG . 29.4 mt -141.8 109.29 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.933 ' HB3' HD12 ' A' ' 69' ' ' LEU . 3.4 mm? -89.58 126.76 35.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.83 121.79 18.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.5 p90 -99.3 145.46 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -106.41 117.87 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -66.19 121.33 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.7 p -52.94 -33.52 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -72.62 -28.54 62.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.8 tpp -127.12 81.25 70.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.693 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.91 36.59 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.14 -21.34 45.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -106.69 85.62 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' OE1' HD13 ' A' ' 88' ' ' LEU . 10.8 pt-20 -87.09 138.54 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.42 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.5 mp -92.74 130.86 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 9.0 mp0 -79.8 119.44 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 55' ' ' LEU . 17.3 mt -85.49 74.88 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 15.5 pt-20 -69.34 -49.58 54.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.3 m120 -63.91 106.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -38.43 31.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.605 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.2 mp -62.25 -18.09 60.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -88.25 138.12 30.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 179.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -77.25 -30.02 54.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.78 -27.39 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.87 -27.12 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 69' ' ' LEU . 52.7 m-85 -94.85 19.31 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t 55.5 38.45 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 57' ' ' TYR . 69.2 t -92.86 118.98 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -124.81 164.55 19.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -52.52 134.98 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.23 -36.42 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.601 ' HB2' HD22 ' A' ' 12' ' ' LEU . 56.6 m-20 -55.21 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.7 m -128.74 123.31 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.05 124.54 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.487 HD13 ' OE1' ' A' ' 66' ' ' GLU . 6.6 mt -112.51 109.09 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 42' ' ' LEU . 70.9 t -90.64 108.8 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . 46.6 ttp180 -127.55 155.88 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.8 p90 -152.41 140.1 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -82.34 -58.75 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 41.93 64.21 1.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 161.68 45.02 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -50.12 -45.43 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.7 p -126.56 176.77 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m 48.88 42.36 20.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -71.62 131.57 43.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.6 -59.45 0.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -81.25 128.54 33.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.0 p -48.53 138.98 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 129.74 10.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.12 142.8 30.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.6 mm? -74.01 144.1 45.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -116.78 122.01 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.0 m -81.46 102.42 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 19.7 mt -121.67 155.62 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HD2' HG21 ' A' ' 24' ' ' ILE . 6.5 mtmp? -103.37 123.58 47.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.1 mp -86.03 116.32 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -126.31 126.53 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 m -91.07 113.5 25.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -65.37 -41.28 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -70.5 -8.05 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -129.88 93.21 34.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -27.34 26.57 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.2 -33.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -48.68 114.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -57.5 163.24 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.545 HG21 ' HD2' ' A' ' 13' ' ' LYS . 14.3 mm -82.67 142.11 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.88 155.15 33.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.43 121.62 32.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -137.74 148.51 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.715 ' C ' HD22 ' A' ' 29' ' ' LEU . 2.6 mt-30 -117.43 121.3 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -131.5 152.22 80.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.48 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 10' ' ' LEU . 5.7 p-10 -45.97 -20.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -66.17 -42.12 89.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 ttp -46.31 130.96 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -74.18 141.45 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 82.3 t -42.52 -34.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -57.74 -44.36 86.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -63.79 -48.38 77.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG12 HD21 ' A' ' 55' ' ' LEU . 93.1 t -58.57 -37.36 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' C ' HG22 ' A' ' 50' ' ' VAL . 90.2 mttt -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.11 -32.69 65.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.02 -42.7 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -87.14 -20.96 26.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 53' ' ' LEU . 1.5 t -50.64 -30.31 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -87.08 -19.95 27.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.16 -56.32 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.2 mt -89.57 8.54 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.53 38.25 29.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 46' ' ' LEU . 21.7 t -120.13 136.85 25.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.79 136.19 32.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.508 HG22 ' C ' ' A' ' 39' ' ' LYS . 25.3 t -46.58 -23.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -72.8 -42.28 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.65 15.04 15.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 43' ' ' SER . 17.5 mt -105.9 101.73 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.796 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -95.43 102.11 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 6.8 mp -88.66 118.13 28.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.6 p -123.84 119.84 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -96.14 143.59 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.9 127.2 48.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -64.98 140.64 58.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 p -77.98 -41.79 34.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -70.76 -20.89 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.425 ' CB ' ' HD2' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -133.55 86.05 41.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.848 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.22 20.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.01 25.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -99.75 119.48 38.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.3 pp20? -114.98 154.46 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.1 mp -121.63 115.26 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.96 106.68 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.652 HD23 ' CE1' ' A' ' 79' ' ' TYR . 12.3 mt -71.4 117.03 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.33 0.32 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -106.54 97.44 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.52 -15.92 58.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -93.95 19.47 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -130.15 142.84 46.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.27 3.8 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 -31.29 48.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.34 -23.67 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.7 -10.84 59.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.652 ' CE1' HD23 ' A' ' 69' ' ' LEU . 41.4 m-85 -110.56 4.96 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 t 71.61 26.72 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.9 t -80.61 114.71 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -118.04 166.12 12.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.9 136.56 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.43 -29.25 10.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 1.2 m-20 -57.1 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -126.55 141.87 51.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 130.8 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.58 108.71 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.92 133.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -146.05 162.49 37.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.472 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 35.5 p90 -167.71 141.49 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -131.29 124.43 30.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.96 81.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 83.53 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -68.58 123.75 21.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 82.6 p -71.55 126.22 29.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 p -118.62 -58.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -55.71 -53.34 57.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.17 5.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -48.71 160.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -44.99 -56.15 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.88 121.58 23.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.77 140.12 51.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 28' ' ' GLN . 2.4 mm? -66.17 141.95 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 31' ' ' ASP . 2.7 mt -111.57 119.81 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -78.73 105.86 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 87' ' ' LEU . 11.5 mt -126.24 174.5 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -120.03 116.08 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -87.84 126.61 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -145.02 115.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m -79.5 118.47 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -60.37 -54.47 45.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 16.8 m-20 -52.44 -16.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -117.08 91.07 35.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.9 Cg_endo -69.68 -35.86 12.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.35 -47.49 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -40.12 124.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.81 147.84 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -65.66 144.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.71 -174.97 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -143.46 116.55 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -130.49 135.34 47.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.912 ' C ' HD22 ' A' ' 29' ' ' LEU . 3.3 mt-30 -100.32 121.46 41.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.912 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.3 mm? -133.26 146.48 61.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.77 123.62 10.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.554 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.6 p-10 -43.56 -25.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -65.01 -42.71 94.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.519 ' CE ' HG22 ' A' ' 38' ' ' VAL . 3.8 ttp -40.99 112.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -58.87 139.04 57.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.457 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 70.7 t -41.27 -33.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.53 -46.59 82.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -55.05 -52.89 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE ' ' A' ' 33' ' ' MET . 89.9 t -54.13 -40.99 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' HD22 ' A' ' 55' ' ' LEU . 71.7 mttt -65.74 -43.51 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.73 75.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.05 -34.26 77.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 45' ' ' LEU . 87.5 mt -93.76 -26.76 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -51.31 -38.58 53.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -85.05 -8.96 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 HD23 ' A' ' 42' ' ' LEU . 68.4 mt -90.77 -53.97 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.5 mt -91.81 7.01 43.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 57.03 39.43 29.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 49' ' ' PRO . 21.2 t -120.22 136.76 25.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.492 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.76 132.57 23.62 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -48.57 -22.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.0 p -69.56 -42.65 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -82.92 -21.62 34.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.31 129.36 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.7 mt -124.11 102.72 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 39' ' ' LYS . 6.5 mp -89.24 128.84 35.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -137.55 123.78 20.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -98.88 144.1 28.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 114.77 28.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.9 p -67.06 112.05 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.6 t -46.07 -58.34 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -41.48 -42.16 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 tpp -116.86 84.61 16.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.83 19.76 78.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -148.09 120.64 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.2 pp20? -108.07 155.26 20.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.92 116.74 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.84 116.55 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 79' ' ' TYR . 6.3 mt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.47 -34.45 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -70.1 120.76 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -29.34 12.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.11 -4.24 56.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -101.5 141.64 23.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 179.03 4.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -76.31 -34.66 59.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.44 -26.22 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -30.68 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 69' ' ' LEU . 63.1 m-85 -96.35 25.49 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m 54.73 41.52 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.0 t -90.48 131.45 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -131.99 -174.59 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.56 140.55 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.03 -37.4 3.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.7 OUTLIER -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 88.6 m -105.07 140.95 37.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 HD12 ' A' ' 12' ' ' LEU . 69.7 mt -105.44 122.48 46.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -112.3 114.04 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 42' ' ' LEU . 94.3 t -102.41 97.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 152.43 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.687 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 24.3 p90 -152.09 149.89 29.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.8 t -90.36 148.23 22.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.55 -76.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 151.69 69.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.0 p -56.58 144.48 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -137.72 142.38 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m 51.52 44.55 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.922 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -96.88 156.27 16.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 -89.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -76.87 168.89 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.4 p -103.28 -44.69 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.87 156.96 53.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -94.19 157.46 16.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.9 mp -82.24 132.15 35.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -104.69 139.73 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -97.39 94.01 6.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD11 ' A' ' 87' ' ' LEU . 7.7 mt -112.86 160.9 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -105.59 126.71 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.41 117.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -132.92 103.38 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -60.46 128.21 35.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -75.99 131.19 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 69.7 25.56 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.57 80.02 63.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.641 2.227 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -42.63 -30.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 17.2 ttm105 -82.48 148.1 28.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -103.49 138.73 39.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.2 mt -62.78 142.08 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.72 179.73 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -138.19 122.65 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.3 tppt? -128.08 137.81 52.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.64 ' C ' HD22 ' A' ' 29' ' ' LEU . 54.6 mt-30 -102.46 114.46 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.835 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -127.24 151.28 74.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' HB3' HD21 ' A' ' 10' ' ' LEU . 2.6 p30 -44.49 -24.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -66.0 -41.1 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.465 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -43.96 120.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 p -69.49 141.41 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.57 -43.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -55.18 -46.51 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -55.69 -53.07 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.07 -38.21 52.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.795 ' HG2' HD23 ' A' ' 55' ' ' LEU . 65.8 mttt -69.56 -41.13 76.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.28 -21.46 68.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.04 -45.65 48.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.25 -17.79 44.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -62.58 -36.74 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -74.02 -21.68 59.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.23 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 31.4 mt -70.49 -1.11 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 35.63 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 49' ' ' PRO . 97.5 t -118.08 138.89 25.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.8 130.41 19.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.3 t -47.63 -21.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 t -68.41 -42.6 78.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.73 -18.28 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 50' ' ' VAL . 20.7 mt -72.57 139.4 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -134.5 112.27 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.795 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -92.16 123.58 35.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 p -132.27 119.18 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -98.75 139.71 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.59 109.45 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -65.55 145.87 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 p -79.4 -22.1 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -74.93 -31.04 61.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpp -126.95 84.55 63.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.92 24.53 71.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -153.8 132.08 11.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.83 144.93 48.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.77 111.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.54 110.34 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.8 mt -77.19 99.54 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -93.15 -35.11 13.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.06 92.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.6 -26.54 64.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.56 30.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -138.0 140.56 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.294 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -68.97 -35.15 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.485 ' C ' ' CD ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.85 -35.51 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.0 -11.66 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 69' ' ' LEU . 33.0 m-85 -110.58 17.32 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.3 t 63.62 29.09 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.0 t -82.78 116.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -118.79 168.42 10.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 6.3 p-10 -60.2 137.79 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.2 -30.43 9.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.0 177.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.1 m -112.79 160.4 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.442 HD11 HD12 ' A' ' 12' ' ' LEU . 24.8 mt -126.19 120.99 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.33 106.68 16.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.5 t -94.49 98.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -125.44 155.81 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -143.01 157.23 44.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -108.27 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.46 72.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 143.73 51.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 t 46.58 44.45 13.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -89.73 109.69 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -131.36 42.72 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 54.39 43.09 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.17 80.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -85.1 150.61 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -68.6 -37.94 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.09 120.75 2.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -89.9 148.68 23.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.67 135.24 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.63 148.04 29.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 m -101.62 104.31 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD13 HD21 ' A' ' 87' ' ' LEU . 4.0 mt -127.07 160.61 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -106.99 125.56 51.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.2 122.75 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -138.44 115.06 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.9 t -66.8 128.79 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.5 m -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -102.83 -28.55 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -107.84 80.63 1.03 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -43.31 2.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.64 -28.98 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -70.6 102.55 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.0 159.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 25' ' ' LEU . 32.4 mt -84.67 148.31 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 24' ' ' ILE . 5.9 mp -123.31 171.75 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -129.58 122.42 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -128.25 136.03 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 28.2 mt-30 -104.42 118.87 37.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -132.49 146.45 61.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.955 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.8 10.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -44.64 -23.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -64.83 -40.88 95.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.5 ttp -47.95 116.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 p -65.42 141.55 58.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.2 t -38.45 -32.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.85 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 33' ' ' MET . 14.4 mtmm -49.74 -42.58 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.72 -42.66 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' HD13 ' A' ' 55' ' ' LEU . 81.8 mttt -68.71 -42.72 77.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.79 -24.5 66.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 45' ' ' LEU . 12.4 tp -66.88 -57.49 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 45' ' ' LEU . 9.9 mt -74.56 -21.54 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 t -50.01 -39.91 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.05 -19.81 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 42' ' ' LEU . 10.9 mp -75.37 -63.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 10.5 mt -84.54 10.3 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 51.15 44.84 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 89.8 t -118.72 138.64 26.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.77 128.06 15.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.9 t -44.5 -24.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -70.26 -43.04 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 97.7 mt-10 -84.4 -3.47 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 50' ' ' VAL . 16.4 mt -87.05 128.24 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.12 103.78 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' HG2' ' A' ' 39' ' ' LYS . 5.0 mp -86.92 137.52 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -145.12 120.61 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -99.9 144.49 28.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -101.11 114.81 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p -51.83 150.0 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.2 p -84.33 -1.2 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -26.54 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.3 tpp -115.69 78.44 6.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.74 31.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.62 -21.34 45.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -111.9 115.85 29.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.69 145.26 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.427 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -100.93 102.52 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' CD ' ' O ' ' A' ' 68' ' ' GLU . 2.2 pp20? -66.23 112.93 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 55' ' ' LEU . 3.9 mt -78.08 113.52 16.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.83 -25.17 13.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.25 100.75 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -2.56 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 mt -105.23 11.94 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 mm-40 -123.1 142.59 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.51 9.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -72.2 -34.03 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.01 -24.6 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -66.99 -16.93 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -105.53 20.65 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t 58.77 29.14 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -80.14 128.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.3 157.25 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -42.89 137.13 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.45 -43.86 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.21 170.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.9 m -117.77 143.16 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 12' ' ' LEU . 89.0 mt -105.62 126.11 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.59 111.64 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.47 126.21 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 55.4 ttt180 -148.36 155.12 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 49.0 p90 -149.46 148.14 29.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 t -88.72 122.04 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.33 72.92 0.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.92 34.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -90.28 149.39 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.4 t -40.05 -47.14 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -117.96 103.17 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -115.67 141.53 47.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.01 -43.42 0.95 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -67.79 141.66 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -55.56 -36.76 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.85 89.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -108.27 146.44 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -82.1 136.16 35.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 9' ' ' LEU . 1.1 mt -109.43 144.63 37.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.3 m -94.75 109.34 21.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 3.6 mt -130.87 164.77 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -108.19 126.78 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.86 124.2 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -132.73 98.0 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.95 106.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -62.97 -17.49 62.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.579 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . 9.0 m120 -91.42 -7.33 50.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 13.1 mm100 -131.96 89.45 38.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.9 Cg_endo -69.75 -32.56 18.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.08 -39.15 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -54.68 123.9 14.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -66.89 150.99 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 25' ' ' LEU . 38.9 mt -67.54 151.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -134.33 166.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -131.5 114.83 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.682 ' HD2' HD21 ' A' ' 29' ' ' LEU . 6.0 tmtm? -126.9 136.91 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 29' ' ' LEU . 61.4 mt-30 -96.0 124.42 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' HD2' ' A' ' 27' ' ' LYS . 2.5 mm? -128.51 144.16 51.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.0 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -43.21 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' PRO . 15.7 t -66.73 -42.92 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -43.36 127.42 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' LYS . 40.2 p -74.19 135.86 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.89 -36.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 17.4 tt0 -59.82 -43.13 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 17.6 mmmt -58.99 -51.52 69.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 t -50.35 -41.33 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.82 ' CG ' HD23 ' A' ' 55' ' ' LEU . 76.0 mttt -70.9 -39.25 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.46 -26.61 74.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.453 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.79 -57.56 11.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.7 mt -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -43.39 -47.58 6.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -69.28 -25.46 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' LEU . 5.8 mp -77.76 -62.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.68 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.8 mt -77.87 7.42 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 51.2 37.12 17.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 49' ' ' PRO . 47.1 t -113.05 137.52 21.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.81 135.66 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -57.83 -29.21 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -65.29 -17.98 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -106.12 -29.15 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.26 122.53 16.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.1 mt -114.58 108.49 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.05 128.18 35.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 88' ' ' LEU . 9.2 p -138.14 116.23 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -95.7 141.75 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.26 125.51 48.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -70.42 120.08 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 m -61.97 -28.65 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -82.78 -20.38 35.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpt -130.52 84.52 58.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.43 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.31 66.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -158.63 118.79 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 17.0 mp0 -115.62 151.34 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.5 mp -113.72 106.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.61 110.0 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 ' CG ' ' A' ' 79' ' ' TYR . 13.8 mt -73.21 89.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 14.3 pt-20 -73.34 -50.46 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 74' ' ' GLN . 10.8 t-20 -70.07 113.96 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -82.98 -43.65 16.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -57.92 -20.6 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.443 ' HG2' ' CG ' ' A' ' 71' ' ' ASN . 42.0 mm-40 -81.87 134.63 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.23 17.04 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -64.44 -33.33 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -65.21 -25.43 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.7 -14.26 62.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.712 ' CG ' HD22 ' A' ' 69' ' ' LEU . 49.5 m-85 -109.01 11.76 25.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m 62.39 49.95 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.81 120.73 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.72 160.42 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -46.9 131.98 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.6 8.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 55.3 m-20 -62.03 168.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 62.3 m -115.2 131.41 56.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 87' ' ' LEU . 9.9 mt -95.11 130.13 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 56' ' ' SER . 7.7 mt -119.06 111.28 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.3 t -96.13 120.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -132.78 173.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.68 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 9.9 p90 -174.7 140.56 0.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 t -93.32 91.31 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.11 83.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.82 5.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.616 2.211 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -57.83 -48.7 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -138.74 162.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -128.01 104.01 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -127.29 115.43 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.85 -40.99 2.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -57.69 141.49 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -41.62 153.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.46 121.76 0.87 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -107.42 164.17 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -88.98 134.18 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.88 142.55 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 m -96.69 99.9 11.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 87' ' ' LEU . 5.4 mt -117.23 167.25 11.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -116.69 126.74 53.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mp -94.03 115.01 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 16' ' ' CYS . 5.4 tmtm? -129.56 130.96 46.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 86.1 m -81.59 104.41 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 t -54.39 -52.88 60.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -58.59 -11.36 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 24.9 mm100 -126.46 96.95 34.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.2 Cg_endo -69.77 -34.72 13.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.6 -40.96 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -46.43 104.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.71 167.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 25' ' ' LEU . 33.9 mt -108.02 144.01 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.846 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -119.54 176.94 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.06 125.85 40.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -129.4 144.24 51.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.82 ' C ' HD22 ' A' ' 29' ' ' LEU . 57.1 mt-30 -113.7 119.8 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -135.92 148.25 64.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.4 Cg_endo -69.79 124.23 10.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -43.98 -22.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 46.9 t -67.22 -41.78 85.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -46.36 116.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -62.5 146.54 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.25 -33.62 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.1 -48.0 83.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -58.7 -48.38 81.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.16 -38.3 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HG2' HD13 ' A' ' 55' ' ' LEU . 91.0 mttt -67.6 -44.09 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.68 -25.1 67.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.31 -50.58 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 45' ' ' LEU . 43.6 mt -77.78 -29.96 51.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -46.23 -41.63 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -73.04 -26.5 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 HD23 ' A' ' 42' ' ' LEU . 10.8 mp -75.53 -61.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.6 mt -83.5 7.94 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 52.63 28.82 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 49' ' ' PRO . 74.2 t -100.64 138.22 20.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 0.0 111.17 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.74 128.01 15.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -46.51 -27.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -62.51 -45.99 90.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -79.89 -40.73 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.29 104.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.0 mt -100.76 104.18 15.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.0 mp -89.66 133.52 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 p -144.7 118.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -96.39 144.58 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -105.09 123.12 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -73.19 121.38 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.3 p -58.36 -48.95 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -19.23 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ttm -133.19 83.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.541 0.686 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.68 18.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.83 30.86 6.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -157.32 127.2 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.46 148.59 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.8 mp -114.15 122.57 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.39 119.96 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' A' ' 79' ' ' TYR . 13.0 mt -81.92 89.26 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.69 -33.03 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.07 116.65 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 -18.96 21.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.36 2.9 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -109.54 142.16 25.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 179.58 3.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.1 mm? -74.64 -31.07 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -66.19 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.42 -34.62 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.762 ' CD2' HD22 ' A' ' 69' ' ' LEU . 77.0 m-85 -91.12 16.12 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 m 60.8 34.85 19.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.19 133.88 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.95 154.85 47.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 8.9 p-10 -41.25 142.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.25 -41.74 2.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.6 m -118.5 147.02 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.401 HD11 HD12 ' A' ' 12' ' ' LEU . 29.3 mt -109.25 118.05 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -101.63 108.46 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' CG2' HG23 ' A' ' 14' ' ' ILE . 92.5 t -91.34 123.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -135.02 170.78 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.508 ' CB ' HG11 ' A' ' 48' ' ' VAL . 7.8 p90 -175.02 144.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -90.19 118.2 29.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.57 -80.91 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -38.53 7.53 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 p 40.74 44.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -69.92 101.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -144.37 112.53 6.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -115.17 143.34 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.24 148.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -97.99 85.23 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 p -90.3 43.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.34 153.28 8.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -96.84 152.92 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -88.17 134.89 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -105.46 131.56 52.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -87.55 100.57 12.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.47 173.44 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 64.6 mttt -113.41 132.38 55.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 HG23 ' A' ' 89' ' ' VAL . 5.4 mp -103.06 124.96 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -147.98 133.71 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.3 t -82.65 117.28 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.9 m -51.76 -58.0 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -54.31 -14.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.52 84.88 36.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' ARG . 4.9 tp10 -63.55 -55.29 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 15.8 mtp85 -38.28 104.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -46.14 145.88 1.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 13' ' ' LYS . 63.8 mt -74.54 128.68 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.0 -178.53 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.43 113.92 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -127.34 156.27 42.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.813 ' C ' HD22 ' A' ' 29' ' ' LEU . 49.7 mt-30 -114.33 124.05 51.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.5 mm? -134.37 143.92 48.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.2 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.1 p30 -40.73 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -63.7 -45.12 91.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.6 ttp -44.36 112.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -62.07 144.31 55.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 74' ' ' GLN . 85.1 t -43.0 -41.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -55.06 -46.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -55.34 -54.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -52.62 -43.02 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HG2' HD23 ' A' ' 55' ' ' LEU . 93.4 mttt -69.58 -36.57 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.29 75.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.4 -39.03 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.2 mt -89.01 -35.2 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.7 t -39.11 -39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -71.97 -37.96 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.0 tp -74.41 -57.73 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 mt -74.66 4.52 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt 48.71 25.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 46' ' ' LEU . 84.1 t -107.84 138.69 20.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.77 138.78 38.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.1 -29.15 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 t -63.01 -42.61 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.22 -28.26 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 62.0 mt -66.78 142.66 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.65 115.83 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.8 mm? -90.94 129.28 36.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -132.76 119.64 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.68 ' CD2' HG22 ' A' ' 81' ' ' VAL . 3.1 p90 -99.5 146.62 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.87 115.98 26.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 1.0 OUTLIER -57.78 175.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -100.12 -23.82 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' CG ' ' SD ' ' A' ' 62' ' ' MET . 0.2 OUTLIER -89.82 -41.12 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.488 ' SD ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -107.39 71.14 0.3 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 110.823 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 61' ' ' LYS . 54.0 Cg_endo -69.76 146.41 60.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.65 43.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -104.2 83.45 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -78.99 137.56 37.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.577 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -97.86 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.13 110.7 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 79' ' ' TYR . 7.2 mt -76.96 110.9 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.53 -21.16 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -85.06 96.65 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -24.36 63.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.4 35.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 78.2 mm-40 -144.22 136.49 13.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.8 26.42 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -66.09 -36.58 83.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -61.96 -33.45 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.36 -25.01 61.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 69' ' ' LEU . 79.9 m-85 -96.79 24.56 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 35.38 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 57' ' ' TYR . 86.6 t -93.98 120.28 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.97 161.3 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -45.19 132.87 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.13 1.05 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.68 -177.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.6 m -125.1 148.36 48.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 93.5 mt -108.34 132.9 53.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -120.07 107.34 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 14' ' ' ILE . 47.3 t -86.73 100.54 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -123.82 151.7 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -142.52 166.95 23.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -118.11 161.76 19.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.04 70.02 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 p -168.15 124.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.2 p -131.62 118.62 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -82.6 86.23 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 m -150.49 144.15 25.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.89 -97.65 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 t -123.51 110.64 15.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -118.25 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.31 153.6 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -151.65 144.58 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.59 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.9 mm? -67.91 141.67 56.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 31' ' ' ASP . 6.6 mt -111.44 113.42 25.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 m -71.3 97.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -119.01 178.56 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -127.17 127.59 44.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 4.1 mp -96.43 135.6 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -160.28 130.21 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.575 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.8 t -77.61 117.21 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 p -59.3 -23.44 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -116.48 91.9 35.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -45.3 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.44 -48.94 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -42.59 109.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -56.49 140.27 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.46 144.82 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.8 172.46 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -130.08 120.18 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 29' ' ' LEU . 1.1 mmmm -133.41 153.29 51.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.936 ' C ' HD22 ' A' ' 29' ' ' LEU . 6.2 mt-30 -116.44 122.93 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.936 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.4 mm? -135.18 141.98 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.755 ' HB3' HD11 ' A' ' 10' ' ' LEU . 11.6 p-10 -45.43 -25.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -62.67 -39.68 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -49.41 130.96 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.2 p -76.4 143.09 40.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 69' ' ' LEU . 45.3 t -42.27 -40.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.43 -46.54 80.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -53.23 -54.22 39.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.17 -38.16 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.853 ' HG2' HD23 ' A' ' 55' ' ' LEU . 64.0 mttt -66.74 -38.96 87.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.34 -41.95 66.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.21 -42.68 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' ARG . 15.4 mt -84.91 -37.29 20.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 53' ' ' LEU . 4.9 t -33.86 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.5 mmt180 -81.41 -50.04 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.4 tp -57.47 -45.4 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mt -96.87 9.02 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.23 45.2 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 46' ' ' LEU . 92.9 t -122.88 138.77 30.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.8 131.01 20.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 53' ' ' LEU . 56.1 t -47.12 -25.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 p -68.46 -40.82 80.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 6.2 mm-40 -92.3 5.6 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.62 ' HG ' HG12 ' A' ' 48' ' ' VAL . 30.8 mt -98.37 91.21 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -88.94 108.46 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.2 mm? -87.06 139.95 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 p -145.86 119.82 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -98.03 140.46 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -102.81 125.21 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 t -66.89 133.68 50.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -63.76 -48.51 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 62' ' ' MET . 0.0 OUTLIER -63.63 -18.24 63.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.47 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 4.2 ttm -133.85 85.94 39.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.89 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.98 67.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -39.14 2.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -80.56 121.37 25.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -116.74 144.36 44.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.9 mp -107.71 116.94 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.7 113.99 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 79' ' ' TYR . 30.9 mt -74.44 101.63 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.89 -55.46 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.95 133.29 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -98.99 -30.06 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -85.12 34.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -129.92 138.97 34.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.18 66.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.67 -35.01 54.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -58.24 -33.81 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.32 -40.29 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 69' ' ' LEU . 95.9 m-85 -86.85 25.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.4 m 54.28 45.14 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -99.59 125.1 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -136.72 157.56 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -39.61 142.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.69 -43.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 177.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.6 m -118.72 148.79 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.41 126.63 55.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.6 mt -118.55 123.6 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.17 122.24 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -134.88 146.99 49.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.575 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 19.5 p90 -149.5 139.2 21.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.9 t -104.29 147.85 27.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.2 83.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.1 Cg_endo -69.77 -1.56 8.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' PRO . 15.1 m -35.62 96.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' PRO . 89.3 p -141.13 126.26 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 54.6 p -153.35 143.16 22.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.8 m -37.73 -55.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 81.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t 61.61 40.18 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -107.45 83.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.95 116.68 0.85 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -110.12 151.26 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -87.56 135.05 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' CG ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -103.38 140.44 37.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -96.02 104.63 16.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 85' ' ' ASP . 8.6 mt -124.21 167.75 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -116.35 131.17 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.551 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.9 mp -95.43 119.42 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -124.66 124.99 43.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -76.37 99.12 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -49.36 -53.49 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -59.91 -29.64 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 3.3 mm100 -107.47 93.18 9.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.2 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.246 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -64.73 -34.47 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 23' ' ' GLN . 2.3 tpm_? -47.0 131.71 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' HG2' ' NH1' ' A' ' 22' ' ' ARG . 10.8 pt20 -67.83 162.89 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 25' ' ' LEU . 16.1 mt -102.18 142.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.82 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -116.49 177.13 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -136.94 121.41 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 15.1 tptm -132.22 149.1 52.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.748 ' C ' HD22 ' A' ' 29' ' ' LEU . 43.4 mt-30 -112.52 123.49 50.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -133.61 145.9 58.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.9 13.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' CG ' HD11 ' A' ' 10' ' ' LEU . 15.7 t0 -49.89 -23.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -67.49 -33.4 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.471 ' SD ' HG22 ' A' ' 38' ' ' VAL . 2.0 ttt -46.0 150.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -93.39 134.7 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.9 t -39.34 -38.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.53 -53.44 57.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.56 -54.72 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG22 ' SD ' ' A' ' 33' ' ' MET . 63.9 t -49.16 -35.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.05 -35.49 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.09 -21.95 78.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -73.4 -41.04 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 HD12 ' A' ' 45' ' ' LEU . 16.9 mt -88.6 -19.76 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -56.12 -28.74 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.65 -16.86 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 42' ' ' LEU . 18.1 mt -81.1 -64.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.68 4.63 21.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 57.38 39.89 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 49' ' ' PRO . 33.0 t -115.16 137.03 22.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.2 Cg_endo -69.73 132.6 23.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.406 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.9 t -48.36 -21.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -73.67 -37.58 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.91 -4.49 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' VAL . 14.5 mt -87.15 115.92 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.11 102.82 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 5.8 mp -86.94 137.05 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -140.51 117.85 11.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.92 131.38 42.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -94.58 118.9 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -75.4 132.57 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -65.93 -49.41 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -47.45 -37.99 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 tpt -118.76 82.6 20.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.99 29.65 17.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -161.65 117.42 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.78 152.01 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.57 112.32 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.14 111.73 9.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.5 mt -74.65 107.27 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -89.94 -31.69 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.467 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 8.8 t-20 -85.38 145.54 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -113.71 -46.76 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.79 -15.34 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.467 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 18.6 mm-40 -84.61 138.6 38.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.64 0.733 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.7 mm? -71.64 -35.65 70.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.32 -24.84 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.73 -33.89 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD1' HD23 ' A' ' 69' ' ' LEU . 64.7 m-85 -86.75 11.67 12.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m 62.78 38.3 11.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -86.63 123.16 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -124.39 157.03 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -51.5 138.22 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 -23.21 26.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' HB2' HD22 ' A' ' 12' ' ' LEU . 58.6 m-20 -64.66 176.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.9 m -123.33 124.82 43.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.58 116.82 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mt -98.15 112.53 24.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.551 ' CG2' HG23 ' A' ' 14' ' ' ILE . 45.4 t -95.08 95.98 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.38 139.44 51.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.1 p90 -143.08 144.24 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -86.32 105.89 16.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.06 82.98 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -31.25 20.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.375 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.1 m -46.63 116.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -76.78 166.8 22.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -65.44 174.71 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -86.56 41.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.59 178.52 14.57 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -101.57 41.07 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.61 153.28 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.24 109.71 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -107.48 161.83 14.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 28' ' ' GLN . 1.9 mp -83.91 142.86 30.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 31' ' ' ASP . 1.6 mt -117.86 134.15 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -88.08 95.11 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 85' ' ' ASP . 12.6 mt -116.81 158.68 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -107.08 122.7 46.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 116.75 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -125.57 125.23 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 m -71.73 147.01 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 t -87.32 128.93 35.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.3 t30 63.26 32.09 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -134.29 90.39 25.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -46.51 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.389 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.01 -32.23 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -70.72 96.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.61 149.81 24.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD13 ' A' ' 25' ' ' LEU . 62.9 mt -79.62 134.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -109.96 174.5 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -133.4 118.35 18.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.7 tttp -128.32 150.07 50.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.873 ' C ' HD22 ' A' ' 29' ' ' LEU . 63.1 mt-30 -114.96 114.73 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -127.22 147.72 63.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.9 Cg_endo -69.72 119.21 6.19 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CG ' HD11 ' A' ' 10' ' ' LEU . 13.8 t0 -42.36 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PRO . 6.8 t -65.61 -44.22 87.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.1 ttp -41.58 137.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -82.52 141.5 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.2 t -42.79 -35.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -56.02 -56.74 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -50.17 -54.53 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -46.23 -48.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 53' ' ' LEU . 42.8 mttt -66.8 -43.36 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.0 -25.21 67.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.628 HD21 ' HE2' ' A' ' 27' ' ' LYS . 4.3 tp -76.24 -35.36 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LEU . 68.3 mt -84.06 -36.07 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 4.2 t -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.7 mmt-85 -71.76 -33.31 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.8 mp -72.75 -59.43 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.054 ' O ' HG23 ' A' ' 48' ' ' VAL . 19.2 mt -88.46 23.11 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 32.76 51.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 46' ' ' LEU . 89.4 t -129.08 139.13 34.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.651 0.738 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.683 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 134.34 27.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.19 -24.53 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -64.33 -21.3 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -108.25 -31.68 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' HG ' HG12 ' A' ' 48' ' ' VAL . 64.8 mt -61.82 107.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.67 115.06 28.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.2 139.87 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 p -145.61 118.97 8.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 2.7 p90 -95.36 141.44 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -103.78 104.9 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.6 p -46.62 122.35 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.0 m -56.27 -42.82 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' MET . 36.8 pttt -63.22 -43.27 98.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 9.5 ttt -115.65 82.0 9.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.12 67.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.49 -36.58 3.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -93.27 88.72 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.63 144.82 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.561 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.3 mp -104.88 119.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -77.12 117.61 18.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.3 mt -86.82 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -79.41 -40.54 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.56 100.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.14 -28.04 57.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.32 33.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -136.03 138.24 27.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 152.06 69.01 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.1 mm? -54.92 -29.9 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.496 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 4.4 pp0? -63.92 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.62 -36.08 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.693 ' CD1' HD22 ' A' ' 69' ' ' LEU . 77.1 m-85 -87.75 17.66 4.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m 57.85 42.35 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.7 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.04 161.91 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -51.03 146.79 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.95 -39.77 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' HB3' HD22 ' A' ' 12' ' ' LEU . 7.5 t70 -53.48 176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.1 m -117.1 141.14 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.1 mt -101.24 116.92 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.49 118.26 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -103.38 104.57 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -127.93 136.13 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -130.08 156.03 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.9 t -104.34 155.92 18.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -151.86 84.18 0.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 161.2 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t -105.62 104.72 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -76.21 146.47 39.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -131.77 164.35 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -50.64 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.56 38.64 93.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -64.69 -48.26 75.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.29 110.68 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 13.9 pt20 -87.68 137.57 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -73.82 131.49 41.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -102.88 148.18 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -97.7 113.58 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.868 HD22 ' OD1' ' A' ' 85' ' ' ASP . 1.9 mt -130.89 160.13 35.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ2' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -106.27 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.03 121.03 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.676 ' HB2' HD12 ' A' ' 24' ' ' ILE . 25.6 tttp -135.4 110.36 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m -66.52 134.54 52.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -78.59 136.22 37.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 60.28 25.16 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -125.19 77.19 67.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.87 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -42.08 -41.64 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' NH1' HD21 ' A' ' 46' ' ' LEU . 17.2 ttt180 -81.23 166.17 20.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -118.02 165.74 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 15' ' ' LYS . 21.2 mm -70.64 138.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.26 156.35 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -119.33 120.41 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 29' ' ' LEU . 2.1 tmtp? -133.68 131.31 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.594 ' O ' HD13 ' A' ' 29' ' ' LEU . 52.6 mt-30 -92.65 128.5 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 28' ' ' GLN . 2.7 mm? -130.79 141.75 43.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.52 14.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 8' ' ' GLN . 9.3 p-10 -45.74 -25.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t -67.46 -38.37 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttt -41.44 115.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 45.9 p -68.5 132.48 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' THR . 15.3 t -34.93 -34.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 22.7 tt0 -65.08 -46.81 79.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' THR . 15.0 mmmt -53.97 -46.84 71.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.79 -59.6 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.5 mptt -47.08 -40.06 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.37 92.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.63 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ARG . 6.9 mt -72.41 -40.53 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.1 t -34.02 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' LEU . 13.4 mmp_? -84.49 -51.62 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 45' ' ' LEU . 6.5 tp -53.92 -46.56 71.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' NH1' ' A' ' 22' ' ' ARG . 10.2 mt -94.91 1.21 55.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 54.02 37.83 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.4 t -110.95 138.93 21.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.3 Cg_endo -69.7 133.41 25.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.254 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.813 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.1 t -51.79 -19.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -72.47 -31.77 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -94.87 -23.4 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.1 mt -70.75 136.17 48.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -143.85 110.49 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG22 ' A' ' 89' ' ' VAL . 2.4 mm? -88.72 138.25 31.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -140.28 120.54 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -98.71 142.35 30.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.77 121.76 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 p -66.63 100.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' SER . 65.5 m -35.31 -56.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -49.13 -49.51 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.24 84.1 13.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 160.31 50.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.31 -15.06 47.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -114.42 86.28 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -82.29 145.32 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.9 mp -104.77 111.73 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -68.78 113.44 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 79' ' ' TYR . 23.4 mt -77.78 106.34 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.62 -62.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 7.6 t-20 -47.85 127.12 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.7 OUTLIER -98.54 -34.8 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.88 -6.92 50.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.483 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 28.9 mm-40 -99.87 136.09 20.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.52 3.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.29 -26.82 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.79 -30.85 71.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CD2' HD23 ' A' ' 69' ' ' LEU . 79.3 m-85 -91.92 11.87 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.0 m 62.29 44.03 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.518 HG13 ' OD2' ' A' ' 85' ' ' ASP . 87.8 t -100.21 135.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.88 166.64 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -53.19 138.04 32.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.01 -42.35 1.94 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.868 ' OD1' HD22 ' A' ' 12' ' ' LEU . 1.4 p30 -60.79 169.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 m -105.73 162.12 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 12' ' ' LEU . 11.8 mt -122.89 119.99 32.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.18 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 HD11 ' A' ' 55' ' ' LEU . 86.5 t -100.26 105.19 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -131.08 134.83 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -128.21 141.89 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' HD3' ' A' ' 94' ' ' PRO . 3.7 t -104.46 104.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.42 70.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 105.73 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -51.27 134.95 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -47.07 153.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -42.82 94.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -67.76 -57.86 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.17 -39.16 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -114.09 152.72 30.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -106.99 -179.97 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.42 157.51 27.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -79.17 137.29 37.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.5 mm? -63.36 135.82 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.55 118.75 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -77.53 108.76 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD22 ' CG ' ' A' ' 85' ' ' ASP . 11.8 mt -126.41 153.92 44.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -104.78 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.52 122.75 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -135.18 105.3 6.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 m -67.81 128.49 36.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 t -73.52 -36.45 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.569 ' OD1' ' CH2' ' A' ' 91' ' ' TRP . 1.9 p30 -73.43 -10.54 59.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -128.63 83.6 65.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -30.69 22.25 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.296 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.68 -45.0 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -50.43 124.55 10.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.45 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.857 ' C ' HD13 ' A' ' 25' ' ' LEU . 97.3 mt -104.85 138.76 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -110.86 177.26 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.17 142.53 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' HD21 ' A' ' 29' ' ' LEU . 12.8 mmtm -149.42 143.84 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.782 ' C ' HD22 ' A' ' 29' ' ' LEU . 9.3 mt-30 -117.72 114.53 23.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.787 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.44 143.69 49.92 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.73 134.58 28.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -52.99 -26.4 15.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -66.1 -26.29 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.486 ' SD ' HG22 ' A' ' 38' ' ' VAL . 3.0 ttt -54.05 140.12 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 14.2 p -88.4 133.57 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 43.9 t -35.3 -44.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -54.47 -51.28 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -53.74 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.486 HG22 ' SD ' ' A' ' 33' ' ' MET . 86.2 t -54.18 -51.42 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 55' ' ' LEU . 96.4 mttt -56.11 -39.01 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.56 -36.84 92.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.1 tp -58.04 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -78.21 -29.08 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -46.93 -29.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.43 -25.14 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -69.98 -58.14 4.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.1 mt -91.82 2.27 56.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.74 46.83 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG13 ' HD2' ' A' ' 49' ' ' PRO . 99.5 t -115.92 138.96 24.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.682 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.8 125.12 11.76 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.2 t -49.63 -28.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -62.19 -34.97 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.57 -42.74 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HG ' HG12 ' A' ' 48' ' ' VAL . 13.9 mt -39.2 110.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.25 102.96 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.7 mp -94.87 131.27 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -142.73 120.15 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.1 p90 -95.58 141.29 29.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -97.04 119.17 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.0 m -81.36 127.34 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -53.23 -60.16 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -41.65 -41.85 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 mmt -117.6 84.81 19.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.846 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 135.4 30.18 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.48 -15.94 58.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -98.54 87.82 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -78.25 150.15 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.45 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 3.4 mp -115.27 101.98 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.6 109.82 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.4 mt -74.82 112.86 11.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 16.7 pt-20 -100.14 -50.05 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 74' ' ' GLN . 4.1 t-20 -61.16 113.2 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -15.88 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.56 15.31 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HG3' ' CG ' ' A' ' 71' ' ' ASN . 17.6 mm-40 -119.73 138.52 26.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 161.8 44.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.6 mm? -60.05 -32.52 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.02 -34.24 74.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.04 -25.18 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -98.84 21.72 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 t 52.9 33.71 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.72 HG13 ' OD2' ' A' ' 85' ' ' ASP . 94.3 t -85.86 135.19 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.66 152.07 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -39.4 140.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.94 -51.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.72 ' OD2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -46.4 167.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.82 146.0 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 12' ' ' LEU . 16.7 mt -107.01 116.67 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 mt -105.61 107.04 17.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.9 t -88.87 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -162.2 178.4 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.569 ' CH2' ' OD1' ' A' ' 18' ' ' ASN . 38.6 p90 -171.65 169.33 6.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -146.43 160.69 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.98 127.14 3.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.52 10.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.378 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -41.27 128.87 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t -149.05 124.31 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -45.06 -51.93 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -47.66 155.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.81 62.49 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -125.51 99.78 6.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -91.64 95.94 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 155.96 1.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -151.11 163.0 39.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -89.75 140.75 29.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -108.99 141.73 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -101.0 103.2 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 87' ' ' LEU . 6.0 mt -123.85 168.97 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -108.59 138.49 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -110.16 131.42 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -149.71 122.99 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.5 m -75.42 107.8 7.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.0 m -56.83 -41.91 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -67.98 -9.28 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.0 mm100 -128.79 93.74 36.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -69.61 -48.58 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -44.62 116.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -61.52 156.22 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 mt -80.02 143.11 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.03 -176.46 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -144.92 121.48 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -120.69 152.81 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.707 ' C ' HD22 ' A' ' 29' ' ' LEU . 35.0 mt-30 -122.53 114.13 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -129.42 150.87 76.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 119.34 6.3 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 10' ' ' LEU . 7.9 p-10 -46.6 -20.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -67.44 -39.72 85.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 37' ' ' LYS . 2.3 ttp -48.81 136.17 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' VAL . 11.4 p -77.51 141.86 39.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.4 t -36.92 -48.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.62 -52.59 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 33' ' ' MET . 6.9 mmtp -54.1 -43.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 76' ' ' LEU . 17.9 t -60.52 -38.07 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HZ1' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -71.24 -51.83 22.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.38 -15.67 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.92 -43.21 65.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 64.7 mt -88.62 -37.48 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.9 t -33.92 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -65.44 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 tp -60.75 -53.95 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.838 HD22 ' CH2' ' A' ' 91' ' ' TRP . 16.7 mt -87.97 8.21 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 48.3 28.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 46' ' ' LEU . 95.3 t -103.83 136.86 19.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.7 Cg_endo -69.79 138.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.8 t -58.64 -27.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -65.24 -21.42 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -109.06 -39.54 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 17.0 mt -38.82 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.91 97.88 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' A' ' 69' ' ' LEU . 7.8 mp -94.07 139.04 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -143.37 124.72 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -104.11 146.99 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.24 124.92 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -77.48 154.86 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 t -78.34 -24.51 46.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' MET . 10.1 ptpp? -73.59 -42.23 61.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.936 ' HE3' HD11 ' A' ' 67' ' ' ILE . 6.9 ptt? -112.44 82.86 4.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.32 64.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.6 63.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -151.04 120.17 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 150.86 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.936 HD11 ' HE3' ' A' ' 62' ' ' MET . 4.1 mp -110.88 108.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.09 115.06 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 55' ' ' LEU . 2.3 mt -82.34 113.37 20.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.54 -9.81 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.92 118.53 28.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -21.79 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.56 30.67 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.6 mm100 -136.84 135.89 20.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD21 HG21 ' A' ' 38' ' ' VAL . 3.1 mm? -67.89 -33.61 75.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -60.27 -33.6 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.62 -30.89 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HD23 ' A' ' 69' ' ' LEU . 48.9 m-85 -93.04 22.81 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m 51.74 25.27 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.3 t -76.22 117.62 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.5 163.47 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 83' ' ' ASN . 11.0 t-20 -54.65 127.95 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.61 -39.68 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.65 -177.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.2 m -121.41 150.2 41.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 12' ' ' LEU . 90.3 mt -118.5 114.33 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.47 110.17 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.56 131.6 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -157.35 147.32 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.838 ' CH2' HD22 ' A' ' 46' ' ' LEU . 41.7 p90 -144.34 162.24 36.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 t -99.68 100.36 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.06 69.15 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.72 23.66 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.4 t -75.29 144.91 42.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -136.09 117.21 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.8 mp -88.49 132.39 34.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -110.7 102.54 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 85' ' ' ASP . 4.4 mt -121.06 174.74 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -118.39 128.54 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.98 132.54 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -148.23 118.75 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.594 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 5.6 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.506 ' C ' HD13 ' A' ' 25' ' ' LEU . 23.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.838 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -117.11 172.98 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.48 128.53 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -126.89 135.28 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 29' ' ' LEU . 83.2 mt-30 -102.98 116.75 33.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -132.26 146.9 63.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 127.02 14.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.79 -26.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -66.17 -40.07 90.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttt -39.89 135.22 1.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' GLN . 32.4 p -86.55 133.06 33.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 18.8 t -36.67 -32.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 6.6 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -55.72 -47.71 76.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 33' ' ' MET . 58.3 t -54.8 -39.15 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HG2' HD23 ' A' ' 55' ' ' LEU . 74.1 mttt -72.86 -38.09 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 50' ' ' VAL . . . -70.6 -29.09 70.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.46 -43.2 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 45' ' ' LEU . 9.7 mt -82.64 -23.67 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -49.57 -45.17 47.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -72.38 -21.92 61.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.779 HD12 HD23 ' A' ' 42' ' ' LEU . 86.8 mt -76.13 -63.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.5 mt -83.32 13.89 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.76 31.89 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' LEU . 22.3 t -110.61 136.83 20.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 133.02 24.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG2' ' HA2' ' A' ' 40' ' ' GLY . 52.4 t -44.15 -23.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -70.45 -44.14 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 50.8 mt-10 -87.62 6.68 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 11.8 mt -98.17 92.34 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -92.42 106.05 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.896 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -87.52 132.9 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.3 p -138.71 121.59 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 81' ' ' VAL . 1.5 p90 -100.45 145.05 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -100.27 113.49 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -76.16 117.47 17.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -49.71 -58.1 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -40.47 -40.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpp -117.35 86.81 22.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.91 47.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.72 77.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -152.92 121.08 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 31.9 mp0 -109.15 146.11 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -109.0 109.35 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.65 107.58 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.9 mt -72.38 102.15 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -87.1 -27.66 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.48 124.09 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -95.16 -36.07 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.83 -6.77 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.14 136.96 22.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 178.35 4.65 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.7 mm? -75.91 -33.07 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.17 -20.56 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.83 -27.73 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CG ' HD22 ' A' ' 69' ' ' LEU . 84.7 m-85 -98.98 24.6 7.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t 53.14 37.83 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 57' ' ' TYR . 84.4 t -89.09 118.59 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -127.7 154.23 45.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.6 143.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.27 10.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 3.5 t70 -55.55 178.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.5 m -125.65 129.65 50.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.7 132.32 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.72 115.7 23.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.98 110.18 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 91' ' ' TRP . 0.0 OUTLIER -121.81 141.56 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 23.2 p90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 28' ' ' GLN . 1.9 mp -79.55 130.23 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -104.96 140.68 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.3 m -95.34 101.75 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 HD21 ' A' ' 87' ' ' LEU . 8.4 mt -120.86 176.44 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -121.52 124.94 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.1 127.85 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -139.36 114.7 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.81 166.16 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.65 114.76 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -126.63 147.8 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.556 ' C ' HD22 ' A' ' 29' ' ' LEU . 42.8 mt-30 -117.5 117.1 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.733 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -126.43 148.83 65.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.37 14.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -49.31 -24.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 1.9 ttp -48.94 125.1 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 p -70.85 146.4 49.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.01 -35.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -60.01 -46.98 87.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.62 -36.14 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.812 ' CG ' HD23 ' A' ' 55' ' ' LEU . 72.0 mttt -73.04 -36.22 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.6 68.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.39 -41.22 85.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 89' ' ' VAL . 18.1 mt -84.29 -22.81 30.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -53.53 -44.68 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -74.22 -24.23 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.47 -60.35 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.7 mt -88.86 15.25 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.86 41.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 49' ' ' PRO . 87.5 t -112.77 138.69 22.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.4 Cg_endo -69.72 127.68 14.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.6 t -49.93 -23.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 t -68.09 -45.71 73.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.84 -30.59 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.6 mt -53.02 149.7 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -144.02 110.91 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -94.17 132.0 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -141.6 117.03 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.8 p90 -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -105.88 111.83 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 m -64.54 120.06 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -48.75 -63.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.31 85.19 15.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.03 41.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.54 -31.66 6.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -91.0 93.54 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -85.01 148.36 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.6 mp -105.72 114.75 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.72 103.32 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 79' ' ' TYR . 12.4 mt -69.09 109.64 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.9 -17.86 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.488 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -93.67 -30.65 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -84.22 34.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.488 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 76.7 mm-40 -137.93 139.15 25.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.629 2.22 . . . . 0.0 112.376 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -61.95 -25.18 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.76 -27.96 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 69' ' ' LEU . 80.4 m-85 -97.63 18.42 15.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m 61.21 31.53 19.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CD2' ' A' ' 57' ' ' TYR . 79.1 t -80.81 124.2 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -127.13 157.32 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.72 141.99 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.48 -19.15 46.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -70.82 168.32 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 99.0 m -112.92 133.94 54.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD21 HD13 ' A' ' 12' ' ' LEU . 89.7 mt -97.28 123.94 41.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.45 107.27 17.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 42' ' ' LEU . 85.3 t -90.32 124.41 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -135.94 175.4 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.4 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.518 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.9 mp -80.36 129.53 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -108.08 142.49 38.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.6 m -92.72 106.88 18.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.0 151.54 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HD2' HG21 ' A' ' 24' ' ' ILE . 27.4 mtmt -101.11 120.03 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.91 123.38 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -132.32 130.46 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.714 ' C ' HD13 ' A' ' 25' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.873 0.368 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -115.91 160.0 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -117.79 133.59 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -155.08 136.88 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.509 ' C ' HD22 ' A' ' 29' ' ' LEU . 48.5 mt-30 -102.72 121.27 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.9 mm? -123.29 145.26 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.297 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.3 p30 -40.57 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' PRO . 27.9 t -65.1 -45.44 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -39.8 122.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -71.99 142.65 49.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -42.6 -28.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -68.18 -41.44 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.72 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.32 -44.57 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.705 ' CG ' HD23 ' A' ' 55' ' ' LEU . 60.0 mttt -70.13 -29.13 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.27 -16.66 77.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -77.39 -44.07 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 45' ' ' LEU . 42.7 mt -88.93 -18.19 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -53.87 -43.73 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -72.4 -21.73 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 42' ' ' LEU . 12.9 mt -78.86 -64.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 48' ' ' VAL . 18.6 mt -78.44 8.08 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 1.8 mppt? 51.62 37.08 18.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.0 t -113.13 138.88 22.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.76 131.52 21.41 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.438 HG22 ' C ' ' A' ' 39' ' ' LYS . 20.0 t -50.74 -23.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -69.25 -42.79 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.94 -18.87 35.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.544 ' HG ' HG12 ' A' ' 48' ' ' VAL . 19.1 mt -73.31 120.93 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.12 111.33 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.705 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.27 141.14 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -145.42 120.15 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -100.64 141.59 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -102.36 112.21 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -69.47 114.96 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -51.32 -55.78 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -44.77 -41.46 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.21 82.22 7.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.68 69.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 26.96 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -152.94 136.03 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -124.31 141.32 52.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -108.1 104.85 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.84 105.22 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 55' ' ' LEU . 16.4 mt -65.21 96.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.43 -57.94 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.487 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -56.56 123.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.55 -27.7 15.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.73 24.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.487 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 71.7 mm-40 -126.78 140.78 38.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.84 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -68.89 -33.37 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.37 -25.42 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -70.54 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' HD22 ' A' ' 69' ' ' LEU . 53.0 m-85 -104.26 16.15 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.0 t 58.89 46.69 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 57' ' ' TYR . 26.4 t -100.42 126.46 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.54 160.16 36.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -47.89 141.25 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.34 -38.93 3.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -54.9 172.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -116.96 147.84 41.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -105.07 122.36 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -109.92 105.68 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.5 124.64 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -159.32 139.53 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.3 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -86.81 134.79 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -103.68 148.47 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -103.7 101.37 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -125.69 161.91 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -108.06 133.23 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.61 120.43 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -133.49 111.39 10.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.838 0.351 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.62 -178.77 5.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -145.9 114.37 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 29' ' ' LEU . 16.2 mmmt -125.09 153.16 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.86 ' C ' HD22 ' A' ' 29' ' ' LEU . 52.9 mt-30 -113.67 119.32 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.86 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.6 mm? -131.45 150.95 77.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.25 8.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB3' HD21 ' A' ' 10' ' ' LEU . 28.2 p-10 -43.2 -24.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.7 ttp -41.25 111.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 p -62.34 142.96 57.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -43.3 -27.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -67.36 -49.98 61.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -56.01 -54.08 49.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.05 -40.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CG ' HD23 ' A' ' 55' ' ' LEU . 67.4 mttt -70.39 -30.29 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.67 -4.53 87.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.4 tp -86.87 -42.76 12.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 45' ' ' LEU . 11.1 mt -89.01 -20.99 23.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -44.92 -45.12 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.407 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -76.13 -34.31 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -62.09 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -83.19 8.56 12.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? 49.38 51.88 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 49' ' ' PRO . 85.8 t -126.97 138.7 33.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.72 123.91 10.58 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 38.1 t -41.84 -27.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -65.36 -43.49 90.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -81.53 -19.65 41.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 36.7 mt -71.75 134.71 46.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.1 109.65 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.9 mm? -87.6 129.8 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -139.4 119.81 13.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.591 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 3.8 p90 -98.36 149.35 22.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.91 126.49 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -81.32 147.45 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 p -78.38 -47.37 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -52.2 -27.02 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -131.67 82.34 61.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.72 61.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.14 22.53 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -151.03 116.17 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -110.42 156.74 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.591 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.1 mp -113.44 107.26 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.81 108.79 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.6 mt -76.23 104.65 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.74 -34.45 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.05 109.78 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -13.21 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.8 mt -101.7 19.99 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -128.76 141.29 41.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.74 10.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -70.97 -34.65 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.56 -30.53 71.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.99 -14.51 16.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD2' HD22 ' A' ' 69' ' ' LEU . 46.9 m-85 -111.53 24.1 13.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t 57.01 27.49 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -81.26 117.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -125.92 165.15 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.16 137.07 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.97 -37.46 3.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.12 170.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.0 m -111.95 147.61 35.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 87' ' ' LEU . 9.8 mt -106.94 129.14 54.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.23 107.03 14.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.45 108.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 18.1 ttm180 -128.72 152.07 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.458 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.1 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 28' ' ' GLN . 2.0 mp -73.91 133.4 43.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.1 mt -110.02 128.51 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 m -86.18 101.12 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 9.4 mt -118.44 172.02 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 24' ' ' ILE . 48.5 mtmt -119.92 123.65 44.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.694 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.3 mp -89.09 123.54 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -139.37 107.12 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 2.0 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.719 ' C ' HD13 ' A' ' 25' ' ' LEU . 63.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.778 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -104.91 169.5 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.44 113.96 18.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -128.28 133.05 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 29' ' ' LEU . 36.5 mt-30 -106.68 121.3 44.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -129.71 143.38 48.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.77 122.79 9.46 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -39.61 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' PRO . 25.5 t -65.32 -45.16 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.2 ttp -40.93 129.12 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -74.46 138.84 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.22 -31.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.77 -46.05 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.69 -48.18 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.09 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.784 ' HG3' HD23 ' A' ' 55' ' ' LEU . 23.9 mttt -47.64 -31.11 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.25 -31.14 59.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.42 -48.54 78.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 89' ' ' VAL . 6.6 mt -81.34 -37.03 28.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' CA ' ' A' ' 47' ' ' LYS . 3.4 t -38.1 -42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -76.23 -36.44 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.6 mp -61.65 -58.01 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 13.4 mt -90.5 -0.12 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CA ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 60.63 32.24 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 84.6 t -101.15 138.71 20.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.1 Cg_endo -69.74 131.99 22.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.453 ' HA ' HD12 ' A' ' 53' ' ' LEU . 47.9 t -54.28 -22.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -63.24 -47.62 81.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -81.9 -35.32 29.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.9 mt -45.35 142.89 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 90' ' ' ARG . 72.9 mt -138.14 111.37 7.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.784 HD23 ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm? -93.25 130.09 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -142.92 117.46 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.507 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.3 p90 -96.83 141.21 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -104.86 119.81 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.9 p -68.93 123.39 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -52.45 -53.54 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.79 -32.0 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 ttt -127.58 85.09 61.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.61 59.77 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -44.48 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.723 HH21 HD11 ' A' ' 67' ' ' ILE . 10.4 ttp180 -79.91 112.06 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -108.39 147.28 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.723 HD11 HH21 ' A' ' 65' ' ' ARG . 4.5 mp -112.52 120.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 113.85 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.1 mt -75.46 94.26 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.47 -15.73 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.29 101.18 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -37.77 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.61 -9.98 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -96.28 142.1 24.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.53 0.681 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 76' ' ' LEU . 3.5 mm? -75.63 -36.28 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -60.43 -34.22 73.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.26 -28.6 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CG ' HD22 ' A' ' 69' ' ' LEU . 67.0 m-85 -99.75 27.43 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t 51.63 25.74 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 57' ' ' TYR . 82.2 t -79.45 136.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.43 171.3 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -57.7 140.92 50.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.23 -38.49 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 9.9 m-20 -49.2 176.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 94.5 m -120.03 136.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.88 126.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.9 mt -115.08 107.62 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.782 HG21 HD13 ' A' ' 42' ' ' LEU . 96.2 t -92.78 146.95 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' LEU . 47.3 ttp180 -159.08 143.8 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.623 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 33.0 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.2 mp -85.91 134.74 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.35 150.87 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -106.72 98.52 8.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.61 173.61 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -119.52 136.03 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -100.77 132.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 24' ' ' ILE . 4.8 tmtm? -155.83 132.7 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 15' ' ' LYS . 5.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 173.36 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.47 121.63 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -127.88 147.06 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.694 ' C ' HD22 ' A' ' 29' ' ' LEU . 64.9 mt-30 -113.23 117.72 32.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.818 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -130.34 150.0 74.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.82 9.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' ' 10' ' ' LEU . 3.0 p30 -43.11 -24.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -65.52 -42.54 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.499 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -43.95 123.6 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -71.02 141.4 50.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.3 t -42.32 -42.24 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.38 -41.77 69.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.57 -38.69 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' HD13 ' A' ' 55' ' ' LEU . 76.4 mttt -69.98 -36.88 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.01 -28.02 72.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.74 -39.77 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LEU . 23.2 mt -93.6 -22.91 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -45.94 -30.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -88.61 -24.78 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.7 mm? -72.19 -54.56 9.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.13 -4.86 57.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.38 35.25 9.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 49' ' ' PRO . 92.3 t -110.79 138.77 21.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.79 126.69 13.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.6 t -40.72 -25.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -68.7 -44.0 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 78.5 mt-10 -83.88 -6.76 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.87 104.93 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.05 103.47 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD13 ' HG2' ' A' ' 39' ' ' LYS . 6.7 mp -88.54 123.24 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -127.54 118.51 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.523 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.6 p90 -95.81 145.58 25.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -107.59 108.72 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 p -56.2 147.74 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -82.62 9.27 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -113.02 -26.35 8.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.6 mmt -123.62 85.85 52.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 129.15 17.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -8.3 63.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -114.43 114.54 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.29 139.55 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.54 125.8 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.38 111.2 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 79' ' ' TYR . 10.6 mt -73.0 87.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.13 -25.19 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.25 119.92 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.47 -21.59 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.77 -10.14 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.0 mm-40 -97.08 140.34 22.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -79.97 -30.3 39.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -69.29 -25.46 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.5 -26.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 69' ' ' LEU . 80.3 m-85 -97.04 17.42 17.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 t 60.08 26.64 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 57' ' ' TYR . 88.7 t -79.16 122.28 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -122.59 166.71 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.86 132.19 45.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.84 -34.83 4.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 179.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.07 155.09 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.29 121.59 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.34 118.17 36.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.93 107.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -139.34 142.73 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 33.2 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mp -81.81 133.61 35.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.51 150.75 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -106.48 105.39 15.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 85' ' ' ASP . 5.2 mt -129.51 169.6 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -115.7 130.46 56.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.3 mp -87.49 127.04 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -148.03 120.44 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.894 0.378 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -130.39 174.22 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -134.79 125.71 27.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -134.66 146.19 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 62.1 mt-30 -109.15 120.66 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -134.42 146.56 59.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.0 p30 -50.26 -20.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -36.13 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.8 ttp -51.89 127.2 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.0 p -69.61 135.35 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -38.19 -37.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -56.84 -49.05 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -54.57 -47.47 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.43 -37.2 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HG2' HD23 ' A' ' 55' ' ' LEU . 77.7 mttt -69.93 -35.97 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.1 -22.71 78.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -68.17 -38.61 82.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.1 mt -85.29 -37.39 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . 6.8 t -37.45 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -72.38 -42.34 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.3 tp -67.04 -50.46 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.889 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -93.58 14.44 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mptt 38.74 35.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 46' ' ' LEU . 90.3 t -108.11 138.7 20.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.82 125.4 12.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 53' ' ' LEU . 49.3 t -45.35 -24.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.2 p -68.75 -41.0 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.6 -13.3 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.4 mt -76.57 147.53 37.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' ARG . 29.4 mt -141.8 109.29 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.933 ' HB3' HD12 ' A' ' 69' ' ' LEU . 3.4 mm? -89.58 126.76 35.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.83 121.79 18.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.5 p90 -99.3 145.46 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -106.41 117.87 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -66.19 121.33 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.7 p -52.94 -33.52 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -72.62 -28.54 62.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.8 tpp -127.12 81.25 70.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.693 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.91 36.59 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.14 -21.34 45.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -106.69 85.62 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' OE1' HD13 ' A' ' 88' ' ' LEU . 10.8 pt-20 -87.09 138.54 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.42 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.5 mp -92.74 130.86 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 9.0 mp0 -79.8 119.44 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 55' ' ' LEU . 17.3 mt -85.49 74.88 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 15.5 pt-20 -69.34 -49.58 54.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.3 m120 -63.91 106.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -38.43 31.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.605 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.2 mp -62.25 -18.09 60.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -88.25 138.12 30.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 179.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -77.25 -30.02 54.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 17.3 tp60 -66.78 -27.39 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.87 -27.12 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 69' ' ' LEU . 52.7 m-85 -94.85 19.31 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t 55.5 38.45 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 57' ' ' TYR . 69.2 t -92.86 118.98 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -124.81 164.55 19.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -52.52 134.98 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.23 -36.42 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.601 ' HB2' HD22 ' A' ' 12' ' ' LEU . 56.6 m-20 -55.21 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.7 m -128.74 123.31 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.05 124.54 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.487 HD13 ' OE1' ' A' ' 66' ' ' GLU . 6.6 mt -112.51 109.09 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 42' ' ' LEU . 70.9 t -90.64 108.8 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . 46.6 ttp180 -127.55 155.88 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.8 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.6 mm? -74.01 144.1 45.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -116.78 122.01 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.433 ' OG1' ' NE2' ' A' ' 28' ' ' GLN . 24.0 m -81.46 102.42 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 19.7 mt -121.67 155.62 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HD2' HG21 ' A' ' 24' ' ' ILE . 6.5 mtmp? -103.37 123.58 47.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.1 mp -86.03 116.32 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -126.31 126.53 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.545 HG21 ' HD2' ' A' ' 13' ' ' LYS . 14.3 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.911 0.386 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.88 155.15 33.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.43 121.62 32.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -137.74 148.51 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.715 ' C ' HD22 ' A' ' 29' ' ' LEU . 8.2 mt-30 -117.43 121.3 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -131.5 152.22 80.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.48 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 10' ' ' LEU . 5.7 p-10 -45.97 -20.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -66.17 -42.12 89.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 ttp -46.31 130.96 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -74.18 141.45 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 82.3 t -42.52 -34.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -57.74 -44.36 86.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -63.79 -48.38 77.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG12 HD21 ' A' ' 55' ' ' LEU . 93.1 t -58.57 -37.36 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' C ' HG22 ' A' ' 50' ' ' VAL . 90.2 mttt -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.11 -32.69 65.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.02 -42.7 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -87.14 -20.96 26.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 53' ' ' LEU . 1.5 t -50.64 -30.31 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -87.08 -19.95 27.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.16 -56.32 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.2 mt -89.57 8.54 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.53 38.25 29.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 46' ' ' LEU . 21.7 t -120.13 136.85 25.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.79 136.19 32.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.508 HG22 ' C ' ' A' ' 39' ' ' LYS . 25.3 t -46.58 -23.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -72.8 -42.28 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.65 15.04 15.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 43' ' ' SER . 17.5 mt -105.9 101.73 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.796 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -95.43 102.11 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 6.8 mp -88.66 118.13 28.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.6 p -123.84 119.84 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -96.14 143.59 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.9 127.2 48.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -64.98 140.64 58.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 p -77.98 -41.79 34.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -70.76 -20.89 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.425 ' CB ' ' HD2' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -133.55 86.05 41.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.848 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.22 20.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.01 25.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -99.75 119.48 38.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.3 pp20? -114.98 154.46 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.1 mp -121.63 115.26 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.96 106.68 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.652 HD23 ' CE1' ' A' ' 79' ' ' TYR . 12.3 mt -71.4 117.03 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.33 0.32 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -106.54 97.44 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.52 -15.92 58.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -93.95 19.47 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -130.15 142.84 46.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.27 3.8 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 -31.29 48.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.34 -23.67 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.7 -10.84 59.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.652 ' CE1' HD23 ' A' ' 69' ' ' LEU . 41.4 m-85 -110.56 4.96 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 t 71.61 26.72 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.9 t -80.61 114.71 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -118.04 166.12 12.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.9 136.56 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.43 -29.25 10.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 1.2 m-20 -57.1 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -126.55 141.87 51.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 130.8 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.58 108.71 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.92 133.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -146.05 162.49 37.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.472 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 35.5 p90 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 28' ' ' GLN . 2.4 mm? -66.17 141.95 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 31' ' ' ASP . 2.7 mt -111.57 119.81 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -78.73 105.86 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 87' ' ' LEU . 11.5 mt -126.24 174.5 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -120.03 116.08 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -87.84 126.61 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -145.02 115.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.864 0.364 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.71 -174.97 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -143.46 116.55 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -130.49 135.34 47.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.912 ' C ' HD22 ' A' ' 29' ' ' LEU . 8.3 mt-30 -100.32 121.46 41.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.912 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.3 mm? -133.26 146.48 61.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.415 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.77 123.62 10.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.554 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.6 p-10 -43.56 -25.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -65.01 -42.71 94.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.519 ' CE ' HG22 ' A' ' 38' ' ' VAL . 3.8 ttp -40.99 112.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -58.87 139.04 57.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.457 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 70.7 t -41.27 -33.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.53 -46.59 82.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -55.05 -52.89 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE ' ' A' ' 33' ' ' MET . 89.9 t -54.13 -40.99 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' HD22 ' A' ' 55' ' ' LEU . 71.7 mttt -65.74 -43.51 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.73 75.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.05 -34.26 77.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 45' ' ' LEU . 87.5 mt -93.76 -26.76 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -51.31 -38.58 53.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -85.05 -8.96 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 HD23 ' A' ' 42' ' ' LEU . 68.4 mt -90.77 -53.97 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.5 mt -91.81 7.01 43.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 57.03 39.43 29.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 49' ' ' PRO . 21.2 t -120.22 136.76 25.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.492 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.76 132.57 23.62 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -48.57 -22.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.0 p -69.56 -42.65 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -82.92 -21.62 34.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.31 129.36 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.7 mt -124.11 102.72 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 39' ' ' LYS . 6.5 mp -89.24 128.84 35.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -137.55 123.78 20.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -98.88 144.1 28.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 114.77 28.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.9 p -67.06 112.05 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.6 t -46.07 -58.34 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -41.48 -42.16 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 tpp -116.86 84.61 16.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.83 19.76 78.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -148.09 120.64 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.2 pp20? -108.07 155.26 20.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.92 116.74 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.84 116.55 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 79' ' ' TYR . 6.3 mt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.47 -34.45 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -70.1 120.76 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -29.34 12.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.11 -4.24 56.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -101.5 141.64 23.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 179.03 4.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -76.31 -34.66 59.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.44 -26.22 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -30.68 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 69' ' ' LEU . 63.1 m-85 -96.35 25.49 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m 54.73 41.52 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.0 t -90.48 131.45 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -131.99 -174.59 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.56 140.55 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.03 -37.4 3.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.7 OUTLIER -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 88.6 m -105.07 140.95 37.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 HD12 ' A' ' 12' ' ' LEU . 69.7 mt -105.44 122.48 46.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -112.3 114.04 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 42' ' ' LEU . 94.3 t -102.41 97.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 152.43 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.687 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 24.3 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.9 mp -82.24 132.15 35.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -104.69 139.73 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -97.39 94.01 6.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD11 ' A' ' 87' ' ' LEU . 7.7 mt -112.86 160.9 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -105.59 126.71 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.41 117.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -132.92 103.38 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.72 179.73 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -138.19 122.65 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.3 tppt? -128.08 137.81 52.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.64 ' C ' HD22 ' A' ' 29' ' ' LEU . 54.6 mt-30 -102.46 114.46 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.835 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -127.24 151.28 74.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' HB3' HD21 ' A' ' 10' ' ' LEU . 2.6 p30 -44.49 -24.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -66.0 -41.1 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.465 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -43.96 120.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 p -69.49 141.41 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.57 -43.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -55.18 -46.51 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -55.69 -53.07 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.07 -38.21 52.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.795 ' HG2' HD23 ' A' ' 55' ' ' LEU . 65.8 mttt -69.56 -41.13 76.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.28 -21.46 68.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.04 -45.65 48.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.25 -17.79 44.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -62.58 -36.74 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -74.02 -21.68 59.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.23 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 31.4 mt -70.49 -1.11 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 35.63 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 49' ' ' PRO . 97.5 t -118.08 138.89 25.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.8 130.41 19.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.3 t -47.63 -21.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 t -68.41 -42.6 78.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.73 -18.28 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 50' ' ' VAL . 20.7 mt -72.57 139.4 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -134.5 112.27 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.795 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -92.16 123.58 35.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 p -132.27 119.18 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -98.75 139.71 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.59 109.45 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -65.55 145.87 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 p -79.4 -22.1 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -74.93 -31.04 61.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpp -126.95 84.55 63.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.92 24.53 71.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -153.8 132.08 11.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.83 144.93 48.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.77 111.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.54 110.34 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.8 mt -77.19 99.54 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -93.15 -35.11 13.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -71.06 92.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.6 -26.54 64.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.56 30.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.476 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 73.8 mm-40 -138.0 140.56 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.294 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -68.97 -35.15 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.485 ' C ' ' CD ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -61.85 -35.51 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.0 -11.66 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 69' ' ' LEU . 33.0 m-85 -110.58 17.32 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.3 t 63.62 29.09 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.0 t -82.78 116.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -118.79 168.42 10.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 6.3 p-10 -60.2 137.79 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.2 -30.43 9.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.0 177.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.1 m -112.79 160.4 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.442 HD11 HD12 ' A' ' 12' ' ' LEU . 24.8 mt -126.19 120.99 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.33 106.68 16.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.5 t -94.49 98.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -125.44 155.81 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 49.0 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.67 135.24 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.63 148.04 29.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 m -101.62 104.31 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD13 HD21 ' A' ' 87' ' ' LEU . 4.0 mt -127.07 160.61 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -106.99 125.56 51.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.2 122.75 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -138.44 115.06 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.9 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 25' ' ' LEU . 32.4 mt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 24' ' ' ILE . 5.9 mp -123.31 171.75 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -129.58 122.42 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -128.25 136.03 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 43.7 mt-30 -104.42 118.87 37.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -132.49 146.45 61.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.955 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.8 10.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -44.64 -23.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -64.83 -40.88 95.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.5 ttp -47.95 116.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 p -65.42 141.55 58.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.2 t -38.45 -32.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.85 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 33' ' ' MET . 14.4 mtmm -49.74 -42.58 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.72 -42.66 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' HD13 ' A' ' 55' ' ' LEU . 81.8 mttt -68.71 -42.72 77.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.79 -24.5 66.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 45' ' ' LEU . 12.4 tp -66.88 -57.49 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 45' ' ' LEU . 9.9 mt -74.56 -21.54 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 t -50.01 -39.91 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.05 -19.81 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 42' ' ' LEU . 10.9 mp -75.37 -63.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 10.5 mt -84.54 10.3 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 51.15 44.84 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 89.8 t -118.72 138.64 26.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.77 128.06 15.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.9 t -44.5 -24.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -70.26 -43.04 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 97.7 mt-10 -84.4 -3.47 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 50' ' ' VAL . 16.4 mt -87.05 128.24 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.12 103.78 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' HG2' ' A' ' 39' ' ' LYS . 5.0 mp -86.92 137.52 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -145.12 120.61 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -99.9 144.49 28.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -101.11 114.81 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p -51.83 150.0 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.2 p -84.33 -1.2 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -26.54 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.3 tpp -115.69 78.44 6.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.74 31.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.62 -21.34 45.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -111.9 115.85 29.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.69 145.26 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.427 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -100.93 102.52 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' CD ' ' O ' ' A' ' 68' ' ' GLU . 2.2 pp20? -66.23 112.93 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 55' ' ' LEU . 3.9 mt -78.08 113.52 16.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.83 -25.17 13.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.25 100.75 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -2.56 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 mt -105.23 11.94 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 mm-40 -123.1 142.59 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.51 9.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -72.2 -34.03 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.01 -24.6 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -66.99 -16.93 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -105.53 20.65 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t 58.77 29.14 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -80.14 128.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.3 157.25 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -42.89 137.13 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.45 -43.86 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.21 170.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.9 m -117.77 143.16 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 12' ' ' LEU . 89.0 mt -105.62 126.11 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.59 111.64 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.47 126.21 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 55.4 ttt180 -148.36 155.12 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 49.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -82.1 136.16 35.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 9' ' ' LEU . 1.1 mt -109.43 144.63 37.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.3 m -94.75 109.34 21.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 3.6 mt -130.87 164.77 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -108.19 126.78 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.86 124.2 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -132.73 98.0 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 25' ' ' LEU . 38.9 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -134.33 166.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -131.5 114.83 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.682 ' HD2' HD21 ' A' ' 29' ' ' LEU . 6.0 tmtm? -126.9 136.91 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 29' ' ' LEU . 61.4 mt-30 -96.0 124.42 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' HD2' ' A' ' 27' ' ' LYS . 2.5 mm? -128.51 144.16 51.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.0 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -43.21 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' PRO . 15.7 t -66.73 -42.92 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -43.36 127.42 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' LYS . 40.2 p -74.19 135.86 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.89 -36.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 17.4 tt0 -59.82 -43.13 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 17.6 mmmt -58.99 -51.52 69.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 t -50.35 -41.33 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.82 ' CG ' HD23 ' A' ' 55' ' ' LEU . 76.0 mttt -70.9 -39.25 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.46 -26.61 74.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.453 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.79 -57.56 11.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.7 mt -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -43.39 -47.58 6.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -69.28 -25.46 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' LEU . 5.8 mp -77.76 -62.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.68 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.8 mt -77.87 7.42 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 51.2 37.12 17.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 49' ' ' PRO . 47.1 t -113.05 137.52 21.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.81 135.66 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -57.83 -29.21 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -65.29 -17.98 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -106.12 -29.15 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.26 122.53 16.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.1 mt -114.58 108.49 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.05 128.18 35.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 88' ' ' LEU . 9.2 p -138.14 116.23 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -95.7 141.75 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.26 125.51 48.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -70.42 120.08 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 m -61.97 -28.65 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -82.78 -20.38 35.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpt -130.52 84.52 58.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.43 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.31 66.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -158.63 118.79 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 17.0 mp0 -115.62 151.34 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.5 mp -113.72 106.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.61 110.0 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 ' CG ' ' A' ' 79' ' ' TYR . 13.8 mt -73.21 89.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 14.3 pt-20 -73.34 -50.46 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -70.07 113.96 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -82.98 -43.65 16.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -57.92 -20.6 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.443 ' HG2' ' CG ' ' A' ' 71' ' ' ASN . 42.0 mm-40 -81.87 134.63 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.23 17.04 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -64.44 -33.33 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -65.21 -25.43 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.7 -14.26 62.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.712 ' CG ' HD22 ' A' ' 69' ' ' LEU . 49.5 m-85 -109.01 11.76 25.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m 62.39 49.95 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.81 120.73 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.72 160.42 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -46.9 131.98 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.6 8.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 55.3 m-20 -62.03 168.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 62.3 m -115.2 131.41 56.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 87' ' ' LEU . 9.9 mt -95.11 130.13 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 56' ' ' SER . 7.7 mt -119.06 111.28 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.3 t -96.13 120.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -132.78 173.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.68 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 9.9 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -88.98 134.18 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.88 142.55 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 m -96.69 99.9 11.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 87' ' ' LEU . 5.4 mt -117.23 167.25 11.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -116.69 126.74 53.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mp -94.03 115.01 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 16' ' ' CYS . 5.4 tmtm? -129.56 130.96 46.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 86.1 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 25' ' ' LEU . 33.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.846 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -119.54 176.94 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.06 125.85 40.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -129.4 144.24 51.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.82 ' C ' HD22 ' A' ' 29' ' ' LEU . 57.1 mt-30 -113.7 119.8 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -135.92 148.25 64.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.4 Cg_endo -69.79 124.23 10.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -43.98 -22.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 46.9 t -67.22 -41.78 85.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -46.36 116.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -62.5 146.54 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.25 -33.62 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.1 -48.0 83.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -58.7 -48.38 81.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.16 -38.3 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HG2' HD13 ' A' ' 55' ' ' LEU . 91.0 mttt -67.6 -44.09 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.68 -25.1 67.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.31 -50.58 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 45' ' ' LEU . 43.6 mt -77.78 -29.96 51.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -46.23 -41.63 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -73.04 -26.5 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 HD23 ' A' ' 42' ' ' LEU . 10.8 mp -75.53 -61.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.6 mt -83.5 7.94 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 52.63 28.82 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 49' ' ' PRO . 74.2 t -100.64 138.22 20.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 0.0 111.17 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.74 128.01 15.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -46.51 -27.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -62.51 -45.99 90.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -79.89 -40.73 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.29 104.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.0 mt -100.76 104.18 15.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.0 mp -89.66 133.52 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 p -144.7 118.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -96.39 144.58 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -105.09 123.12 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -73.19 121.38 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.3 p -58.36 -48.95 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -19.23 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ttm -133.19 83.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.541 0.686 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.68 18.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.83 30.86 6.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -157.32 127.2 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.46 148.59 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.8 mp -114.15 122.57 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.39 119.96 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' A' ' 79' ' ' TYR . 13.0 mt -81.92 89.26 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.69 -33.03 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.07 116.65 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 -18.96 21.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.36 2.9 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -109.54 142.16 25.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 179.58 3.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.1 mm? -74.64 -31.07 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -66.19 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.42 -34.62 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.762 ' CD2' HD22 ' A' ' 69' ' ' LEU . 77.0 m-85 -91.12 16.12 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 m 60.8 34.85 19.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.19 133.88 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.95 154.85 47.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 8.9 p-10 -41.25 142.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.25 -41.74 2.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.6 m -118.5 147.02 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.401 HD11 HD12 ' A' ' 12' ' ' LEU . 29.3 mt -109.25 118.05 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -101.63 108.46 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' CG2' HG23 ' A' ' 14' ' ' ILE . 92.5 t -91.34 123.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -135.02 170.78 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.508 ' CB ' HG11 ' A' ' 48' ' ' VAL . 7.8 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -88.17 134.89 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -105.46 131.56 52.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -87.55 100.57 12.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.47 173.44 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 64.6 mttt -113.41 132.38 55.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 HG23 ' A' ' 89' ' ' VAL . 5.4 mp -103.06 124.96 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -147.98 133.71 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 13' ' ' LYS . 63.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.0 -178.53 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.43 113.92 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -127.34 156.27 42.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.813 ' C ' HD22 ' A' ' 29' ' ' LEU . 49.7 mt-30 -114.33 124.05 51.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.5 mm? -134.37 143.92 48.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.2 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.1 p30 -40.73 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -63.7 -45.12 91.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.6 ttp -44.36 112.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -62.07 144.31 55.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 74' ' ' GLN . 85.1 t -43.0 -41.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -55.06 -46.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -55.34 -54.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -52.62 -43.02 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HG2' HD23 ' A' ' 55' ' ' LEU . 93.4 mttt -69.58 -36.57 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.29 75.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.4 -39.03 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.2 mt -89.01 -35.2 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.7 t -39.11 -39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -71.97 -37.96 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.0 tp -74.41 -57.73 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 mt -74.66 4.52 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt 48.71 25.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 46' ' ' LEU . 84.1 t -107.84 138.69 20.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.77 138.78 38.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.1 -29.15 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 t -63.01 -42.61 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.22 -28.26 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 62.0 mt -66.78 142.66 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.65 115.83 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.8 mm? -90.94 129.28 36.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -132.76 119.64 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.68 ' CD2' HG22 ' A' ' 81' ' ' VAL . 3.1 p90 -99.5 146.62 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.87 115.98 26.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 1.0 OUTLIER -57.78 175.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -100.12 -23.82 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' CG ' ' SD ' ' A' ' 62' ' ' MET . 0.2 OUTLIER -89.82 -41.12 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.488 ' SD ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -107.39 71.14 0.3 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 110.823 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 61' ' ' LYS . 54.0 Cg_endo -69.76 146.41 60.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.65 43.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -104.2 83.45 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -78.99 137.56 37.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.577 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -97.86 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.13 110.7 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 79' ' ' TYR . 7.2 mt -76.96 110.9 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.53 -21.16 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.488 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -85.06 96.65 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -24.36 63.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.4 35.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 78.2 mm-40 -144.22 136.49 13.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.8 26.42 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -66.09 -36.58 83.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 19.7 tp60 -61.96 -33.45 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.36 -25.01 61.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 69' ' ' LEU . 79.9 m-85 -96.79 24.56 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 35.38 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 57' ' ' TYR . 86.6 t -93.98 120.28 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.97 161.3 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -45.19 132.87 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.13 1.05 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.68 -177.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.6 m -125.1 148.36 48.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 93.5 mt -108.34 132.9 53.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -120.07 107.34 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 14' ' ' ILE . 47.3 t -86.73 100.54 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -123.82 151.7 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 42.1 p90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.59 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.9 mm? -67.91 141.67 56.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 31' ' ' ASP . 6.6 mt -111.44 113.42 25.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 m -71.3 97.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -119.01 178.56 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -127.17 127.59 44.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 4.1 mp -96.43 135.6 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -160.28 130.21 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.575 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.8 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.901 0.382 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.8 172.46 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -130.08 120.18 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 29' ' ' LEU . 1.1 mmmm -133.41 153.29 51.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.936 ' C ' HD22 ' A' ' 29' ' ' LEU . 6.2 mt-30 -116.44 122.93 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.936 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.4 mm? -135.18 141.98 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.446 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.755 ' HB3' HD11 ' A' ' 10' ' ' LEU . 11.6 p-10 -45.43 -25.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -62.67 -39.68 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -49.41 130.96 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.2 p -76.4 143.09 40.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 69' ' ' LEU . 45.3 t -42.27 -40.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.43 -46.54 80.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -53.23 -54.22 39.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.17 -38.16 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.853 ' HG2' HD23 ' A' ' 55' ' ' LEU . 64.0 mttt -66.74 -38.96 87.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.34 -41.95 66.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.21 -42.68 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' ARG . 15.4 mt -84.91 -37.29 20.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 53' ' ' LEU . 4.9 t -33.86 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.5 mmt180 -81.41 -50.04 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.4 tp -57.47 -45.4 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mt -96.87 9.02 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.23 45.2 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 46' ' ' LEU . 92.9 t -122.88 138.77 30.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.8 131.01 20.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 53' ' ' LEU . 56.1 t -47.12 -25.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 p -68.46 -40.82 80.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 6.2 mm-40 -92.3 5.6 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.62 ' HG ' HG12 ' A' ' 48' ' ' VAL . 30.8 mt -98.37 91.21 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -88.94 108.46 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.2 mm? -87.06 139.95 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 p -145.86 119.82 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -98.03 140.46 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -102.81 125.21 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 t -66.89 133.68 50.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -63.76 -48.51 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 62' ' ' MET . 0.0 OUTLIER -63.63 -18.24 63.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.47 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 4.2 ttm -133.85 85.94 39.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.89 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.98 67.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -39.14 2.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -80.56 121.37 25.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -116.74 144.36 44.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.9 mp -107.71 116.94 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.7 113.99 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 79' ' ' TYR . 30.9 mt -74.44 101.63 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.89 -55.46 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.95 133.29 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -98.99 -30.06 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -85.12 34.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -129.92 138.97 34.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.18 66.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.67 -35.01 54.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -58.24 -33.81 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.32 -40.29 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 69' ' ' LEU . 95.9 m-85 -86.85 25.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.4 m 54.28 45.14 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -99.59 125.1 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -136.72 157.56 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -39.61 142.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.69 -43.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 177.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.6 m -118.72 148.79 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.41 126.63 55.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.6 mt -118.55 123.6 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.17 122.24 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -134.88 146.99 49.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.575 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 19.5 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -87.56 135.05 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' CG ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -103.38 140.44 37.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -96.02 104.63 16.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 85' ' ' ASP . 8.6 mt -124.21 167.75 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -116.35 131.17 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.551 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.9 mp -95.43 119.42 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -124.66 124.99 43.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 25' ' ' LEU . 16.1 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.82 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -116.49 177.13 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -136.94 121.41 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 15.1 tptm -132.22 149.1 52.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.748 ' C ' HD22 ' A' ' 29' ' ' LEU . 43.4 mt-30 -112.52 123.49 50.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -133.61 145.9 58.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.9 13.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' CG ' HD11 ' A' ' 10' ' ' LEU . 15.7 t0 -49.89 -23.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -67.49 -33.4 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.471 ' SD ' HG22 ' A' ' 38' ' ' VAL . 2.0 ttt -46.0 150.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -93.39 134.7 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.9 t -39.34 -38.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.53 -53.44 57.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.56 -54.72 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.471 HG22 ' SD ' ' A' ' 33' ' ' MET . 63.9 t -49.16 -35.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.05 -35.49 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.09 -21.95 78.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -73.4 -41.04 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 HD12 ' A' ' 45' ' ' LEU . 16.9 mt -88.6 -19.76 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -56.12 -28.74 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.65 -16.86 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 42' ' ' LEU . 18.1 mt -81.1 -64.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.68 4.63 21.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 57.38 39.89 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 49' ' ' PRO . 33.0 t -115.16 137.03 22.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.2 Cg_endo -69.73 132.6 23.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.406 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.9 t -48.36 -21.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -73.67 -37.58 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.91 -4.49 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' VAL . 14.5 mt -87.15 115.92 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.11 102.82 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 5.8 mp -86.94 137.05 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -140.51 117.85 11.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.92 131.38 42.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -94.58 118.9 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -75.4 132.57 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -65.93 -49.41 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -47.45 -37.99 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 tpt -118.76 82.6 20.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.99 29.65 17.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -161.65 117.42 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.78 152.01 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.57 112.32 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.14 111.73 9.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.5 mt -74.65 107.27 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -89.94 -31.69 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.467 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 8.8 t-20 -85.38 145.54 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -113.71 -46.76 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.79 -15.34 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.467 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 18.6 mm-40 -84.61 138.6 38.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.64 0.733 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.7 mm? -71.64 -35.65 70.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.32 -24.84 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.73 -33.89 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD1' HD23 ' A' ' 69' ' ' LEU . 64.7 m-85 -86.75 11.67 12.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m 62.78 38.3 11.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -86.63 123.16 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -124.39 157.03 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -51.5 138.22 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 -23.21 26.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' HB2' HD22 ' A' ' 12' ' ' LEU . 58.6 m-20 -64.66 176.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.9 m -123.33 124.82 43.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.58 116.82 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mt -98.15 112.53 24.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.551 ' CG2' HG23 ' A' ' 14' ' ' ILE . 45.4 t -95.08 95.98 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.38 139.44 51.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 28' ' ' GLN . 1.9 mp -83.91 142.86 30.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 31' ' ' ASP . 1.6 mt -117.86 134.15 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -88.08 95.11 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 85' ' ' ASP . 12.6 mt -116.81 158.68 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -107.08 122.7 46.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 116.75 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -125.57 125.23 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD13 ' A' ' 25' ' ' LEU . 62.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.855 0.36 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -109.96 174.5 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -133.4 118.35 18.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.7 tttp -128.32 150.07 50.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.873 ' C ' HD22 ' A' ' 29' ' ' LEU . 63.1 mt-30 -114.96 114.73 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -127.22 147.72 63.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.9 Cg_endo -69.72 119.21 6.19 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CG ' HD11 ' A' ' 10' ' ' LEU . 13.8 t0 -42.36 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PRO . 6.8 t -65.61 -44.22 87.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.1 ttp -41.58 137.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -82.52 141.5 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.2 t -42.79 -35.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -56.02 -56.74 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -50.17 -54.53 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -46.23 -48.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 53' ' ' LEU . 42.8 mttt -66.8 -43.36 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.0 -25.21 67.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.628 HD21 ' HE2' ' A' ' 27' ' ' LYS . 4.3 tp -76.24 -35.36 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LEU . 68.3 mt -84.06 -36.07 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 4.2 t -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.7 mmt-85 -71.76 -33.31 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.8 mp -72.75 -59.43 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.054 ' O ' HG23 ' A' ' 48' ' ' VAL . 19.2 mt -88.46 23.11 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 32.76 51.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 46' ' ' LEU . 89.4 t -129.08 139.13 34.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.651 0.738 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.683 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 134.34 27.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.19 -24.53 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -64.33 -21.3 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -108.25 -31.68 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' HG ' HG12 ' A' ' 48' ' ' VAL . 64.8 mt -61.82 107.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.67 115.06 28.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.2 139.87 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 p -145.61 118.97 8.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 2.7 p90 -95.36 141.44 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -103.78 104.9 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.6 p -46.62 122.35 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.0 m -56.27 -42.82 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' MET . 36.8 pttt -63.22 -43.27 98.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 9.5 ttt -115.65 82.0 9.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.12 67.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.49 -36.58 3.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -93.27 88.72 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.63 144.82 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.561 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.3 mp -104.88 119.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -77.12 117.61 18.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.3 mt -86.82 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -79.41 -40.54 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.56 100.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.14 -28.04 57.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.32 33.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -136.03 138.24 27.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 152.06 69.01 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.1 mm? -54.92 -29.9 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.496 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 4.4 pp0? -63.92 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.62 -36.08 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.693 ' CD1' HD22 ' A' ' 69' ' ' LEU . 77.1 m-85 -87.75 17.66 4.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m 57.85 42.35 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.7 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.04 161.91 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.03 146.79 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.95 -39.77 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.417 ' HB3' HD22 ' A' ' 12' ' ' LEU . 7.5 t70 -53.48 176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.1 m -117.1 141.14 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.1 mt -101.24 116.92 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.49 118.26 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -103.38 104.57 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -127.93 136.13 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 13.9 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -73.82 131.49 41.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -102.88 148.18 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -97.7 113.58 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.868 HD22 ' OD1' ' A' ' 85' ' ' ASP . 1.9 mt -130.89 160.13 35.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ2' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -106.27 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.03 121.03 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.676 ' HB2' HD12 ' A' ' 24' ' ' ILE . 25.6 tttp -135.4 110.36 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 15' ' ' LYS . 21.2 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.809 0.338 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.26 156.35 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -119.33 120.41 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 29' ' ' LEU . 2.1 tmtp? -133.68 131.31 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.594 ' O ' HD13 ' A' ' 29' ' ' LEU . 52.6 mt-30 -92.65 128.5 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 28' ' ' GLN . 2.7 mm? -130.79 141.75 43.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.52 14.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 8' ' ' GLN . 9.3 p-10 -45.74 -25.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t -67.46 -38.37 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttt -41.44 115.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 45.9 p -68.5 132.48 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' THR . 15.3 t -34.93 -34.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 22.7 tt0 -65.08 -46.81 79.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' THR . 15.0 mmmt -53.97 -46.84 71.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.79 -59.6 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.5 mptt -47.08 -40.06 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.37 92.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.63 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ARG . 6.9 mt -72.41 -40.53 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.1 t -34.02 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' LEU . 13.4 mmp_? -84.49 -51.62 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 45' ' ' LEU . 6.5 tp -53.92 -46.56 71.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -94.91 1.21 55.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 54.02 37.83 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.4 t -110.95 138.93 21.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.3 Cg_endo -69.7 133.41 25.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.254 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.813 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.1 t -51.79 -19.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -72.47 -31.77 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -94.87 -23.4 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.1 mt -70.75 136.17 48.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -143.85 110.49 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG22 ' A' ' 89' ' ' VAL . 2.4 mm? -88.72 138.25 31.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -140.28 120.54 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -98.71 142.35 30.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.77 121.76 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 p -66.63 100.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' SER . 65.5 m -35.31 -56.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -49.13 -49.51 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.24 84.1 13.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 160.31 50.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.31 -15.06 47.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -114.42 86.28 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -82.29 145.32 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.9 mp -104.77 111.73 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -68.78 113.44 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 79' ' ' TYR . 23.4 mt -77.78 106.34 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.62 -62.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 7.6 t-20 -47.85 127.12 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.7 OUTLIER -98.54 -34.8 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.88 -6.92 50.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.483 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 28.9 mm-40 -99.87 136.09 20.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.52 3.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.29 -26.82 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.79 -30.85 71.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CD2' HD23 ' A' ' 69' ' ' LEU . 79.3 m-85 -91.92 11.87 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.0 m 62.29 44.03 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.518 HG13 ' OD2' ' A' ' 85' ' ' ASP . 87.8 t -100.21 135.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.88 166.64 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -53.19 138.04 32.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.01 -42.35 1.94 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.868 ' OD1' HD22 ' A' ' 12' ' ' LEU . 1.4 p30 -60.79 169.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 m -105.73 162.12 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 12' ' ' LEU . 11.8 mt -122.89 119.99 32.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.18 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 HD11 ' A' ' 55' ' ' LEU . 86.5 t -100.26 105.19 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -131.08 134.83 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.6 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.5 mm? -63.36 135.82 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.55 118.75 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -77.53 108.76 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.623 HD22 ' CG ' ' A' ' 85' ' ' ASP . 11.8 mt -126.41 153.92 44.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -104.78 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.52 122.75 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -135.18 105.3 6.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.857 ' C ' HD13 ' A' ' 25' ' ' LEU . 97.3 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.852 0.358 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -110.86 177.26 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.17 142.53 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' HD21 ' A' ' 29' ' ' LEU . 12.8 mmtm -149.42 143.84 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.782 ' C ' HD22 ' A' ' 29' ' ' LEU . 9.3 mt-30 -117.72 114.53 23.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.787 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.44 143.69 49.92 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.43 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.73 134.58 28.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -52.99 -26.4 15.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -66.1 -26.29 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.486 ' SD ' HG22 ' A' ' 38' ' ' VAL . 3.0 ttt -54.05 140.12 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 14.2 p -88.4 133.57 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 43.9 t -35.3 -44.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -54.47 -51.28 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -53.74 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.486 HG22 ' SD ' ' A' ' 33' ' ' MET . 86.2 t -54.18 -51.42 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 55' ' ' LEU . 96.4 mttt -56.11 -39.01 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.56 -36.84 92.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.1 tp -58.04 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -78.21 -29.08 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -46.93 -29.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.43 -25.14 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -69.98 -58.14 4.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.1 mt -91.82 2.27 56.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.74 46.83 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG13 ' HD2' ' A' ' 49' ' ' PRO . 99.5 t -115.92 138.96 24.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.682 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.8 125.12 11.76 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.2 t -49.63 -28.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -62.19 -34.97 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.57 -42.74 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HG ' HG12 ' A' ' 48' ' ' VAL . 13.9 mt -39.2 110.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.25 102.96 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.7 mp -94.87 131.27 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -142.73 120.15 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.1 p90 -95.58 141.29 29.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -97.04 119.17 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.0 m -81.36 127.34 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -53.23 -60.16 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -41.65 -41.85 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 mmt -117.6 84.81 19.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.846 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 135.4 30.18 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.48 -15.94 58.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -98.54 87.82 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -78.25 150.15 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.45 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 3.4 mp -115.27 101.98 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.6 109.82 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.4 mt -74.82 112.86 11.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 16.7 pt-20 -100.14 -50.05 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 74' ' ' GLN . 4.1 t-20 -61.16 113.2 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -15.88 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.56 15.31 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HG3' ' CG ' ' A' ' 71' ' ' ASN . 17.6 mm-40 -119.73 138.52 26.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 161.8 44.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.6 mm? -60.05 -32.52 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -61.02 -34.24 74.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.04 -25.18 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -98.84 21.72 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 t 52.9 33.71 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.72 HG13 ' OD2' ' A' ' 85' ' ' ASP . 94.3 t -85.86 135.19 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.66 152.07 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -39.4 140.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.94 -51.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.72 ' OD2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -46.4 167.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.82 146.0 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 12' ' ' LEU . 16.7 mt -107.01 116.67 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 mt -105.61 107.04 17.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.9 t -88.87 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -162.2 178.4 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.429 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 38.6 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -89.75 140.75 29.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -108.99 141.73 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -101.0 103.2 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 87' ' ' LEU . 6.0 mt -123.85 168.97 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -108.59 138.49 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -110.16 131.42 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -149.71 122.99 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.881 0.372 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.03 -176.46 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -144.92 121.48 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -120.69 152.81 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.707 ' C ' HD22 ' A' ' 29' ' ' LEU . 35.0 mt-30 -122.53 114.13 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -129.42 150.87 76.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 119.34 6.3 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 10' ' ' LEU . 7.9 p-10 -46.6 -20.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -67.44 -39.72 85.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 37' ' ' LYS . 2.3 ttp -48.81 136.17 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' VAL . 11.4 p -77.51 141.86 39.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.4 t -36.92 -48.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.62 -52.59 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 33' ' ' MET . 6.9 mmtp -54.1 -43.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 76' ' ' LEU . 17.9 t -60.52 -38.07 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HZ1' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -71.24 -51.83 22.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.38 -15.67 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.92 -43.21 65.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 64.7 mt -88.62 -37.48 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.9 t -33.92 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -65.44 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 tp -60.75 -53.95 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.838 HD22 ' CH2' ' A' ' 91' ' ' TRP . 16.7 mt -87.97 8.21 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 48.3 28.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 46' ' ' LEU . 95.3 t -103.83 136.86 19.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.7 Cg_endo -69.79 138.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.8 t -58.64 -27.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -65.24 -21.42 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -109.06 -39.54 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 17.0 mt -38.82 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.91 97.88 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' A' ' 69' ' ' LEU . 7.8 mp -94.07 139.04 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -143.37 124.72 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -104.11 146.99 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.24 124.92 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -77.48 154.86 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 t -78.34 -24.51 46.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' MET . 10.1 ptpp? -73.59 -42.23 61.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.936 ' HE3' HD11 ' A' ' 67' ' ' ILE . 6.9 ptt? -112.44 82.86 4.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.32 64.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.6 63.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -151.04 120.17 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 150.86 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.936 HD11 ' HE3' ' A' ' 62' ' ' MET . 4.1 mp -110.88 108.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.09 115.06 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 55' ' ' LEU . 2.3 mt -82.34 113.37 20.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.54 -9.81 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.92 118.53 28.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -21.79 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.56 30.67 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 89.7 mm-40 -136.84 135.89 20.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD21 HG21 ' A' ' 38' ' ' VAL . 3.1 mm? -67.89 -33.61 75.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -60.27 -33.6 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.62 -30.89 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HD23 ' A' ' 69' ' ' LEU . 48.9 m-85 -93.04 22.81 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m 51.74 25.27 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.3 t -76.22 117.62 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.5 163.47 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 83' ' ' ASN . 11.0 t-20 -54.65 127.95 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.61 -39.68 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.65 -177.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.2 m -121.41 150.2 41.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 12' ' ' LEU . 90.3 mt -118.5 114.33 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.47 110.17 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.56 131.6 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -157.35 147.32 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.838 ' CH2' HD22 ' A' ' 46' ' ' LEU . 41.7 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -89.0 -57.53 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m 59.75 42.95 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.75 -171.93 44.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -78.01 -45.42 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 p -47.1 121.65 3.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.15 133.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -108.15 153.24 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.8 mp -88.49 132.39 34.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -110.7 102.54 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 85' ' ' ASP . 4.4 mt -121.06 174.74 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -118.39 128.54 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.98 132.54 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -148.23 118.75 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.594 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 5.6 t -58.03 130.46 46.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 m -72.55 -35.07 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.75 -26.75 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -114.72 85.07 10.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -40.51 5.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.378 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.5 -46.36 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -43.16 120.11 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -47.13 161.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.506 ' C ' HD13 ' A' ' 25' ' ' LEU . 23.2 mt -100.0 135.89 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.838 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -117.11 172.98 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.48 128.53 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -126.89 135.28 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.73 ' O ' HD13 ' A' ' 29' ' ' LEU . 83.2 mt-30 -102.98 116.75 33.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -132.26 146.9 63.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 127.02 14.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.378 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -44.79 -26.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -66.17 -40.07 90.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttt -39.89 135.22 1.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' GLN . 32.4 p -86.55 133.06 33.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 18.8 t -36.67 -32.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 6.6 tt0 -61.07 -50.9 71.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -55.72 -47.71 76.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 33' ' ' MET . 58.3 t -54.8 -39.15 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HG2' HD23 ' A' ' 55' ' ' LEU . 74.1 mttt -72.86 -38.09 67.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 50' ' ' VAL . . . -70.6 -29.09 70.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.46 -43.2 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 45' ' ' LEU . 9.7 mt -82.64 -23.67 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -49.57 -45.17 47.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -72.38 -21.92 61.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD12 HD23 ' A' ' 42' ' ' LEU . 86.8 mt -76.13 -63.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.5 mt -83.32 13.89 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 49.76 31.89 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' LEU . 22.3 t -110.61 136.83 20.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 133.02 24.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG2' ' HA2' ' A' ' 40' ' ' GLY . 52.4 t -44.15 -23.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -70.45 -44.14 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 50.8 mt-10 -87.62 6.68 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 53' ' ' LEU . 11.8 mt -98.17 92.34 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -92.42 106.05 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.896 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -87.52 132.9 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.3 p -138.71 121.59 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 81' ' ' VAL . 1.5 p90 -100.45 145.05 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -100.27 113.49 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -76.16 117.47 17.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -49.71 -58.1 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -40.47 -40.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpp -117.35 86.81 22.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.91 47.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.9 31.72 77.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -152.92 121.08 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 31.9 mp0 -109.15 146.11 34.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -109.0 109.35 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.65 107.58 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.9 mt -72.38 102.15 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -87.1 -27.66 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.48 124.09 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -95.16 -36.07 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.83 -6.77 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.14 136.96 22.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 178.35 4.65 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.7 mm? -75.91 -33.07 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.17 -20.56 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.83 -27.73 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CG ' HD22 ' A' ' 69' ' ' LEU . 84.7 m-85 -98.98 24.6 7.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t 53.14 37.83 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 57' ' ' TYR . 84.4 t -89.09 118.59 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -127.7 154.23 45.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -38.6 143.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.27 10.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 3.5 t70 -55.55 178.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.5 m -125.65 129.65 50.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.7 132.32 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.72 115.7 23.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.98 110.18 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 91' ' ' TRP . 0.0 OUTLIER -121.81 141.56 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.594 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 23.2 p90 -147.91 142.33 26.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -108.87 147.77 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.74 -73.62 1.16 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -59.67 160.46 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -158.52 120.76 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 44.85 41.93 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -59.76 174.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.89 -179.12 47.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -124.55 39.51 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -98.83 36.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.93 121.42 4.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -142.44 148.2 37.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 28' ' ' GLN . 1.9 mp -79.55 130.23 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -104.96 140.68 37.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.3 m -95.34 101.75 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 HD21 ' A' ' 87' ' ' LEU . 8.4 mt -120.86 176.44 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -121.52 124.94 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.1 127.85 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -139.36 114.7 9.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.77 114.23 20.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -62.63 -43.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -66.28 -5.12 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -132.81 90.9 30.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -13.93 35.36 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -98.62 -35.26 10.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -41.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.73 139.15 21.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.4 mt -71.1 152.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.81 166.16 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.65 114.76 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -126.63 147.8 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.556 ' C ' HD22 ' A' ' 29' ' ' LEU . 42.8 mt-30 -117.5 117.1 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.733 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -126.43 148.83 65.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.37 14.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -49.31 -24.03 1.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 1.9 ttp -48.94 125.1 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 p -70.85 146.4 49.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.01 -35.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.7 -40.28 96.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -60.01 -46.98 87.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.62 -36.14 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.812 ' CG ' HD23 ' A' ' 55' ' ' LEU . 72.0 mttt -73.04 -36.22 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.6 68.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.39 -41.22 85.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 89' ' ' VAL . 18.1 mt -84.29 -22.81 30.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -53.53 -44.68 69.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -74.22 -24.23 59.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.47 -60.35 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.7 mt -88.86 15.25 8.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.86 41.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 49' ' ' PRO . 87.5 t -112.77 138.69 22.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.4 Cg_endo -69.72 127.68 14.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.6 t -49.93 -23.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.2 t -68.09 -45.71 73.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.84 -30.59 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.6 mt -53.02 149.7 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -144.02 110.91 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -94.17 132.0 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -141.6 117.03 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 2.8 p90 -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -105.88 111.83 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 m -64.54 120.06 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.801 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -48.75 -63.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.31 85.19 15.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.03 41.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.54 -31.66 6.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -91.0 93.54 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -85.01 148.36 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.6 mp -105.72 114.75 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.72 103.32 8.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 79' ' ' TYR . 12.4 mt -69.09 109.64 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.9 -17.86 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.488 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -95.52 122.35 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -93.67 -30.65 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -84.22 34.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.488 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 76.7 mm-40 -137.93 139.15 25.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.629 2.22 . . . . 0.0 112.376 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -61.95 -25.18 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.76 -27.96 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 69' ' ' LEU . 80.4 m-85 -97.63 18.42 15.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m 61.21 31.53 19.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' CD2' ' A' ' 57' ' ' TYR . 79.1 t -80.81 124.2 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -127.13 157.32 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.72 141.99 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.48 -19.15 46.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.517 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -70.82 168.32 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 99.0 m -112.92 133.94 54.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD21 HD13 ' A' ' 12' ' ' LEU . 89.7 mt -97.28 123.94 41.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.45 107.27 17.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 42' ' ' LEU . 85.3 t -90.32 124.41 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -135.94 175.4 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.4 p90 -175.03 155.73 2.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.0 t -115.28 140.65 48.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.93 80.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.25 11.93 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 m -116.52 57.04 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.785 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.9 p -138.85 152.08 47.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -74.9 97.35 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -94.54 98.31 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.74 113.04 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -51.94 -61.02 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -114.08 81.37 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.24 154.44 6.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -140.73 163.97 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' C ' HD23 ' A' ' 10' ' ' LEU . 1.9 mp -80.36 129.53 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -108.08 142.49 38.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.6 m -92.72 106.88 18.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.0 151.54 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HD2' HG21 ' A' ' 24' ' ' ILE . 27.4 mtmt -101.11 120.03 39.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.91 123.38 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -132.32 130.46 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 m -89.52 98.78 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -45.27 -60.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -54.01 -21.68 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' CB ' ' HG3' ' A' ' 22' ' ' ARG . 36.5 mm-40 -114.78 86.44 13.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.85 30.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.13 -27.15 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HG3' ' CB ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -58.44 109.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.27 155.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.714 ' C ' HD13 ' A' ' 25' ' ' LEU . 5.3 mp -86.72 139.66 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -115.91 160.0 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -117.79 133.59 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -155.08 136.88 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.509 ' C ' HD22 ' A' ' 29' ' ' LEU . 48.5 mt-30 -102.72 121.27 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.9 mm? -123.29 145.26 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.75 118.89 5.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.297 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.3 p30 -40.57 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' PRO . 27.9 t -65.1 -45.44 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.498 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -39.8 122.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -71.99 142.65 49.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -42.6 -28.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -68.18 -41.44 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.72 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.32 -44.57 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.705 ' CG ' HD23 ' A' ' 55' ' ' LEU . 60.0 mttt -70.13 -29.13 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.27 -16.66 77.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -77.39 -44.07 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 45' ' ' LEU . 42.7 mt -88.93 -18.19 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -53.87 -43.73 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -72.4 -21.73 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 42' ' ' LEU . 12.9 mt -78.86 -64.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 48' ' ' VAL . 18.6 mt -78.44 8.08 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 1.8 mppt? 51.62 37.08 18.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.0 t -113.13 138.88 22.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.76 131.52 21.41 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.438 HG22 ' C ' ' A' ' 39' ' ' LYS . 20.0 t -50.74 -23.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -69.25 -42.79 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.94 -18.87 35.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.544 ' HG ' HG12 ' A' ' 48' ' ' VAL . 19.1 mt -73.31 120.93 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.12 111.33 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.705 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.27 141.14 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 p -145.42 120.15 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -100.64 141.59 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -102.36 112.21 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -69.47 114.96 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -51.32 -55.78 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -44.77 -41.46 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.21 82.22 7.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.68 69.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 26.96 53.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -152.94 136.03 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -124.31 141.32 52.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.3 mp -108.1 104.85 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.84 105.22 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 55' ' ' LEU . 16.4 mt -65.21 96.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.43 -57.94 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.487 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -56.56 123.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.55 -27.7 15.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -87.73 24.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.487 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 71.7 mm-40 -126.78 140.78 38.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.84 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -68.89 -33.37 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.37 -25.42 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -70.54 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' HD22 ' A' ' 69' ' ' LEU . 53.0 m-85 -104.26 16.15 26.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.0 t 58.89 46.69 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 57' ' ' TYR . 26.4 t -100.42 126.46 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.54 160.16 36.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -47.89 141.25 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.34 -38.93 3.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -54.9 172.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -116.96 147.84 41.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -105.07 122.36 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -109.92 105.68 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.5 124.64 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -159.32 139.53 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -116.68 179.58 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -150.69 115.85 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.81 71.71 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 116.99 4.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -81.73 130.14 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 t -146.33 140.66 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -132.3 110.34 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -124.54 -49.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.86 93.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -152.65 176.86 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -59.62 -43.39 93.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.21 132.27 10.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -86.81 134.79 33.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -103.68 148.47 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -103.7 101.37 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -125.69 161.91 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -108.06 133.23 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.61 120.43 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -133.49 111.39 10.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 19' ' ' GLN . 68.3 m -66.72 130.57 43.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 t -67.95 147.41 52.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 44.96 25.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 16' ' ' CYS . 36.3 mm-40 -117.08 82.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.98 28.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.61 -39.72 77.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 124.6 28.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.7 mt -53.43 147.15 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.62 -178.77 5.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -145.9 114.37 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 29' ' ' LEU . 16.2 mmmt -125.09 153.16 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.86 ' C ' HD22 ' A' ' 29' ' ' LEU . 52.9 mt-30 -113.67 119.32 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.86 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.6 mm? -131.45 150.95 77.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.25 8.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB3' HD21 ' A' ' 10' ' ' LEU . 28.2 p-10 -43.2 -24.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.7 ttp -41.25 111.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 p -62.34 142.96 57.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -43.3 -27.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -67.36 -49.98 61.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -56.01 -54.08 49.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -49.05 -40.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CG ' HD23 ' A' ' 55' ' ' LEU . 67.4 mttt -70.39 -30.29 67.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.67 -4.53 87.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.4 tp -86.87 -42.76 12.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD23 HD22 ' A' ' 45' ' ' LEU . 11.1 mt -89.01 -20.99 23.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -44.92 -45.12 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -76.13 -34.31 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -62.09 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -83.19 8.56 12.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? 49.38 51.88 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 49' ' ' PRO . 85.8 t -126.97 138.7 33.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.72 123.91 10.58 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.309 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' LEU . 38.1 t -41.84 -27.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -65.36 -43.49 90.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -81.53 -19.65 41.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' VAL . 36.7 mt -71.75 134.71 46.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.2 mt -132.1 109.65 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . 2.9 mm? -87.6 129.8 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p -139.4 119.81 13.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.591 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 3.8 p90 -98.36 149.35 22.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -114.91 126.49 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -81.32 147.45 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 p -78.38 -47.37 17.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -52.2 -27.02 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -131.67 82.34 61.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.72 61.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.14 22.53 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -151.03 116.17 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -110.42 156.74 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.591 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.1 mp -113.44 107.26 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.81 108.79 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.6 mt -76.23 104.65 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.74 -34.45 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.05 109.78 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -13.21 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.8 mt -101.7 19.99 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -128.76 141.29 41.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.74 10.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -70.97 -34.65 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.56 -30.53 71.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.99 -14.51 16.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD2' HD22 ' A' ' 69' ' ' LEU . 46.9 m-85 -111.53 24.1 13.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t 57.01 27.49 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -81.26 117.96 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -125.92 165.15 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.16 137.07 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.97 -37.46 3.67 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.12 170.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.0 m -111.95 147.61 35.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 87' ' ' LEU . 9.8 mt -106.94 129.14 54.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.23 107.03 14.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.45 108.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 18.1 ttm180 -128.72 152.07 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.458 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.1 p90 -147.85 146.01 28.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.7 t -90.2 144.23 26.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.97 81.6 0.24 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.32 36.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 m -127.38 99.69 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -121.95 -56.51 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 m -99.68 129.09 45.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -121.85 96.49 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.03 91.69 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p 47.9 26.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -95.61 95.27 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.65 157.53 22.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.72 142.98 32.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 28' ' ' GLN . 2.0 mp -73.91 133.4 43.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.1 mt -110.02 128.51 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 m -86.18 101.12 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 9.4 mt -118.44 172.02 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 24' ' ' ILE . 48.5 mtmt -119.92 123.65 44.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.694 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.3 mp -89.09 123.54 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -139.37 107.12 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 2.0 t -60.77 112.78 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t -48.66 -26.84 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -86.67 -30.47 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -109.88 82.66 2.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -48.71 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.4 -47.6 85.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLN . 17.3 ttm180 -38.71 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.554 HE22 HD12 ' A' ' 25' ' ' LEU . 1.5 pp0? -35.97 141.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.719 ' C ' HD13 ' A' ' 25' ' ' LEU . 63.1 mt -82.0 143.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.778 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -104.91 169.5 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.44 113.96 18.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' CG ' HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -128.28 133.05 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 29' ' ' LEU . 36.5 mt-30 -106.68 121.3 44.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -129.71 143.38 48.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.77 122.79 9.46 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' HB3' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -39.61 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' PRO . 25.5 t -65.32 -45.16 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.2 ttp -40.93 129.12 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -74.46 138.84 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.22 -31.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -62.77 -46.05 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.69 -48.18 81.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.09 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.784 ' HG3' HD23 ' A' ' 55' ' ' LEU . 23.9 mttt -47.64 -31.11 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.25 -31.14 59.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.42 -48.54 78.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 89' ' ' VAL . 6.6 mt -81.34 -37.03 28.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' CA ' ' A' ' 47' ' ' LYS . 3.4 t -38.1 -42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mmt-85 -76.23 -36.44 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.6 mp -61.65 -58.01 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 13.4 mt -90.5 -0.12 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CA ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 60.63 32.24 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 84.6 t -101.15 138.71 20.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.1 Cg_endo -69.74 131.99 22.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.453 ' HA ' HD12 ' A' ' 53' ' ' LEU . 47.9 t -54.28 -22.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -63.24 -47.62 81.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -81.9 -35.32 29.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.9 mt -45.35 142.89 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 90' ' ' ARG . 72.9 mt -138.14 111.37 7.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.784 HD23 ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm? -93.25 130.09 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -142.92 117.46 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.507 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.3 p90 -96.83 141.21 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -104.86 119.81 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.9 p -68.93 123.39 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -52.45 -53.54 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.79 -32.0 18.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 ttt -127.58 85.09 61.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.61 59.77 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -44.48 3.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.723 HH21 HD11 ' A' ' 67' ' ' ILE . 10.4 ttp180 -79.91 112.06 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -108.39 147.28 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.723 HD11 HH21 ' A' ' 65' ' ' ARG . 4.5 mp -112.52 120.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 113.85 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.667 HD22 ' CG ' ' A' ' 79' ' ' TYR . 15.1 mt -75.46 94.26 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.47 -15.73 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.29 101.18 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -37.77 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.61 -9.98 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -96.28 142.1 24.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.53 0.681 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 76' ' ' LEU . 3.5 mm? -75.63 -36.28 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -60.43 -34.22 73.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.26 -28.6 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CG ' HD22 ' A' ' 69' ' ' LEU . 67.0 m-85 -99.75 27.43 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 t 51.63 25.74 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 57' ' ' TYR . 82.2 t -79.45 136.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.43 171.3 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -57.7 140.92 50.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.23 -38.49 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 9.9 m-20 -49.2 176.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 94.5 m -120.03 136.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.88 126.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.9 mt -115.08 107.62 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.782 HG21 HD13 ' A' ' 42' ' ' LEU . 96.2 t -92.78 146.95 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 54' ' ' LEU . 47.3 ttp180 -159.08 143.8 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.623 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 33.0 p90 -139.43 136.85 35.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.3 t -104.09 134.79 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.29 67.99 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.49 32.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.745 2.296 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.0 m -41.4 -54.81 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -61.87 -58.23 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -93.7 -56.75 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -113.98 158.13 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.11 -147.71 41.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -109.07 173.37 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -86.57 125.44 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.92 149.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -100.03 149.94 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.2 mp -85.91 134.74 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.35 150.87 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -106.72 98.52 8.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.61 173.61 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -119.52 136.03 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -100.77 132.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 24' ' ' ILE . 4.8 tmtm? -155.83 132.7 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLN . 5.0 m -81.22 91.54 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 t -47.34 -31.67 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -84.17 22.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.7 mm100 -150.67 108.15 3.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 54.1 Cg_endo -69.73 -26.46 27.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.42 -43.17 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -39.32 113.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.29 169.08 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 15' ' ' LYS . 5.1 mt -108.37 139.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 173.36 9.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.47 121.63 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -127.88 147.06 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.694 ' C ' HD22 ' A' ' 29' ' ' LEU . 64.9 mt-30 -113.23 117.72 32.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.818 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -130.34 150.0 74.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 122.82 9.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' ' 10' ' ' LEU . 3.0 p30 -43.11 -24.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -65.52 -42.54 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.499 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -43.95 123.6 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 p -71.02 141.4 50.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.3 t -42.32 -42.24 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.38 -41.77 69.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.57 -38.69 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' HD13 ' A' ' 55' ' ' LEU . 76.4 mttt -69.98 -36.88 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.01 -28.02 72.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.74 -39.77 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LEU . 23.2 mt -93.6 -22.91 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -45.94 -30.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -88.61 -24.78 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.7 mm? -72.19 -54.56 9.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.13 -4.86 57.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.38 35.25 9.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 49' ' ' PRO . 92.3 t -110.79 138.77 21.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.79 126.69 13.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.6 t -40.72 -25.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -68.7 -44.0 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 78.5 mt-10 -83.88 -6.76 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.87 104.93 15.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.05 103.47 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD13 ' HG2' ' A' ' 39' ' ' LYS . 6.7 mp -88.54 123.24 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -127.54 118.51 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.523 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.6 p90 -95.81 145.58 25.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -107.59 108.72 20.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 p -56.2 147.74 19.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -82.62 9.27 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -113.02 -26.35 8.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.6 mmt -123.62 85.85 52.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 129.15 17.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -8.3 63.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -114.43 114.54 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.29 139.55 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.54 125.8 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.38 111.2 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 79' ' ' TYR . 10.6 mt -73.0 87.2 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -77.13 -25.19 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.25 119.92 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.47 -21.59 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.77 -10.14 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.0 mm-40 -97.08 140.34 22.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -79.97 -30.3 39.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -69.29 -25.46 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.5 -26.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 69' ' ' LEU . 80.3 m-85 -97.04 17.42 17.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 t 60.08 26.64 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 57' ' ' TYR . 88.7 t -79.16 122.28 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -122.59 166.71 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.86 132.19 45.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.84 -34.83 4.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 179.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.07 155.09 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.29 121.59 38.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.34 118.17 36.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.93 107.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -139.34 142.73 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' GLU . 33.2 p90 -130.0 158.52 39.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.6 t -89.78 -51.59 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.74 73.55 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 169.56 18.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.0 m -44.23 109.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.7 t -77.72 125.92 30.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -77.16 136.46 38.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -131.34 -53.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.11 -60.78 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -49.36 166.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -97.2 82.4 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.42 149.42 8.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -136.96 152.22 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mp -81.81 133.61 35.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -102.51 150.75 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -106.48 105.39 15.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 85' ' ' ASP . 5.2 mt -129.51 169.6 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -115.7 130.46 56.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.3 mp -87.49 127.04 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -148.03 120.44 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' SG ' ' CG ' ' A' ' 19' ' ' GLN . 54.1 t -69.1 133.28 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -81.42 -20.64 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -102.85 -4.89 24.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' CG ' ' SG ' ' A' ' 16' ' ' CYS . 9.5 mm-40 -134.02 87.32 34.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.4 3.46 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -51.78 -39.98 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -49.11 135.26 16.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -74.09 142.05 45.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 86.8 mt -76.96 144.54 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -130.39 174.22 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -134.79 125.71 27.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -134.66 146.19 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 62.1 mt-30 -109.15 120.66 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -134.42 146.56 59.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.0 p30 -50.26 -20.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -36.13 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.8 ttp -51.89 127.2 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.0 p -69.61 135.35 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -38.19 -37.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -56.84 -49.05 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -54.57 -47.47 73.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.43 -37.2 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HG2' HD23 ' A' ' 55' ' ' LEU . 77.7 mttt -69.93 -35.97 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.1 -22.71 78.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -68.17 -38.61 82.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.1 mt -85.29 -37.39 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' LEU . 6.8 t -37.45 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -72.38 -42.34 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.3 tp -67.04 -50.46 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.889 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.9 mt -93.58 14.44 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mptt 38.74 35.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 46' ' ' LEU . 90.3 t -108.11 138.7 20.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.82 125.4 12.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' A' ' 53' ' ' LEU . 49.3 t -45.35 -24.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.2 p -68.75 -41.0 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -84.6 -13.3 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 50' ' ' VAL . 17.4 mt -76.57 147.53 37.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' ARG . 29.4 mt -141.8 109.29 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.933 ' HB3' HD12 ' A' ' 69' ' ' LEU . 3.4 mm? -89.58 126.76 35.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.83 121.79 18.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HG22 ' A' ' 81' ' ' VAL . 2.5 p90 -99.3 145.46 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -106.41 117.87 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -66.19 121.33 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.7 p -52.94 -33.52 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -72.62 -28.54 62.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.8 tpp -127.12 81.25 70.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.693 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.91 36.59 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.14 -21.34 45.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -106.69 85.62 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' OE1' HD13 ' A' ' 88' ' ' LEU . 10.8 pt-20 -87.09 138.54 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.42 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.5 mp -92.74 130.86 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 9.0 mp0 -79.8 119.44 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD12 ' HB3' ' A' ' 55' ' ' LEU . 17.3 mt -85.49 74.88 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 15.5 pt-20 -69.34 -49.58 54.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 5.3 m120 -63.91 106.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -38.43 31.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.605 ' H ' HD12 ' A' ' 73' ' ' LEU . 5.2 mp -62.25 -18.09 60.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -88.25 138.12 30.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 179.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.5 mm? -77.25 -30.02 54.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 17.3 tp60 -66.78 -27.39 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.87 -27.12 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 69' ' ' LEU . 52.7 m-85 -94.85 19.31 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t 55.5 38.45 30.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 57' ' ' TYR . 69.2 t -92.86 118.98 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -124.81 164.55 19.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -52.52 134.98 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.23 -36.42 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.601 ' HB2' HD22 ' A' ' 12' ' ' LEU . 56.6 m-20 -55.21 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.7 m -128.74 123.31 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.05 124.54 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.487 HD13 ' OE1' ' A' ' 66' ' ' GLU . 6.6 mt -112.51 109.09 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 42' ' ' LEU . 70.9 t -90.64 108.8 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . 46.6 ttp180 -127.55 155.88 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.421 ' N ' ' HG2' ' A' ' 90' ' ' ARG . 42.8 p90 -152.41 140.1 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -82.34 -58.75 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 41.93 64.21 1.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 161.68 45.02 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -50.12 -45.43 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.7 p -126.56 176.77 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m 48.88 42.36 20.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -71.62 131.57 43.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.6 -59.45 0.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -81.25 128.54 33.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.0 p -48.53 138.98 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.81 129.74 10.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.12 142.8 30.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.6 mm? -74.01 144.1 45.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -116.78 122.01 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.433 ' OG1' ' NE2' ' A' ' 28' ' ' GLN . 24.0 m -81.46 102.42 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 19.7 mt -121.67 155.62 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HD2' HG21 ' A' ' 24' ' ' ILE . 6.5 mtmp? -103.37 123.58 47.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' ILE . 4.1 mp -86.03 116.32 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -126.31 126.53 44.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.1 m -91.07 113.5 25.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -65.37 -41.28 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -70.5 -8.05 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -129.88 93.21 34.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -27.34 26.57 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.2 -33.21 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -48.68 114.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -57.5 163.24 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.545 HG21 ' HD2' ' A' ' 13' ' ' LYS . 14.3 mm -82.67 142.11 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.88 155.15 33.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.43 121.62 32.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -137.74 148.51 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.715 ' C ' HD22 ' A' ' 29' ' ' LEU . 8.2 mt-30 -117.43 121.3 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.837 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -131.5 152.22 80.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.48 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 10' ' ' LEU . 5.7 p-10 -45.97 -20.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -66.17 -42.12 89.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.3 ttp -46.31 130.96 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -74.18 141.45 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 82.3 t -42.52 -34.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -57.74 -44.36 86.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -63.79 -48.38 77.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG12 HD21 ' A' ' 55' ' ' LEU . 93.1 t -58.57 -37.36 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' C ' HG22 ' A' ' 50' ' ' VAL . 90.2 mttt -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.11 -32.69 65.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.02 -42.7 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -87.14 -20.96 26.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.594 ' HA ' HD11 ' A' ' 53' ' ' LEU . 1.5 t -50.64 -30.31 13.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -87.08 -19.95 27.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.16 -56.32 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.2 mt -89.57 8.54 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.53 38.25 29.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 46' ' ' LEU . 21.7 t -120.13 136.85 25.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.79 136.19 32.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.508 HG22 ' C ' ' A' ' 39' ' ' LYS . 25.3 t -46.58 -23.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -72.8 -42.28 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.65 15.04 15.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 43' ' ' SER . 17.5 mt -105.9 101.73 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.796 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -95.43 102.11 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HB3' HD12 ' A' ' 69' ' ' LEU . 6.8 mp -88.66 118.13 28.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.6 p -123.84 119.84 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -96.14 143.59 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.9 127.2 48.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -64.98 140.64 58.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 p -77.98 -41.79 34.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -70.76 -20.89 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.425 ' CB ' ' HD2' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -133.55 86.05 41.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.848 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.22 20.79 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.01 25.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -99.75 119.48 38.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.3 pp20? -114.98 154.46 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.1 mp -121.63 115.26 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.96 106.68 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.652 HD23 ' CE1' ' A' ' 79' ' ' TYR . 12.3 mt -71.4 117.03 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -116.33 0.32 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -106.54 97.44 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.52 -15.92 58.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -93.95 19.47 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -130.15 142.84 46.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.27 3.8 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 -31.29 48.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.34 -23.67 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.7 -10.84 59.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.652 ' CE1' HD23 ' A' ' 69' ' ' LEU . 41.4 m-85 -110.56 4.96 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.3 t 71.61 26.72 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.9 t -80.61 114.71 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -118.04 166.12 12.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.9 136.56 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.43 -29.25 10.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 1.2 m-20 -57.1 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -126.55 141.87 51.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 130.8 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.58 108.71 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.1 t -88.92 133.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -146.05 162.49 37.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.472 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 35.5 p90 -167.71 141.49 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -131.29 124.43 30.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.96 81.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 83.53 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -68.58 123.75 21.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 82.6 p -71.55 126.22 29.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 p -118.62 -58.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -55.71 -53.34 57.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.11 43.17 5.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -48.71 160.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -44.99 -56.15 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.88 121.58 23.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.77 140.12 51.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 28' ' ' GLN . 2.4 mm? -66.17 141.95 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 31' ' ' ASP . 2.7 mt -111.57 119.81 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -78.73 105.86 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 87' ' ' LEU . 11.5 mt -126.24 174.5 8.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -120.03 116.08 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -87.84 126.61 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -145.02 115.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m -79.5 118.47 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -60.37 -54.47 45.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 16.8 m-20 -52.44 -16.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -117.08 91.07 35.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.9 Cg_endo -69.68 -35.86 12.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.35 -47.49 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -40.12 124.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.81 147.84 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -65.66 144.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.71 -174.97 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -143.46 116.55 8.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -130.49 135.34 47.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.912 ' C ' HD22 ' A' ' 29' ' ' LEU . 8.3 mt-30 -100.32 121.46 41.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.912 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.3 mm? -133.26 146.48 61.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.77 123.62 10.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.554 ' HB3' HD11 ' A' ' 10' ' ' LEU . 2.6 p-10 -43.56 -25.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -65.01 -42.71 94.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.519 ' CE ' HG22 ' A' ' 38' ' ' VAL . 3.8 ttp -40.99 112.18 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -58.87 139.04 57.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.457 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 70.7 t -41.27 -33.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.53 -46.59 82.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -55.05 -52.89 61.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG22 ' CE ' ' A' ' 33' ' ' MET . 89.9 t -54.13 -40.99 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' HD22 ' A' ' 55' ' ' LEU . 71.7 mttt -65.74 -43.51 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.73 75.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.05 -34.26 77.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 45' ' ' LEU . 87.5 mt -93.76 -26.76 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -51.31 -38.58 53.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -85.05 -8.96 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 HD23 ' A' ' 42' ' ' LEU . 68.4 mt -90.77 -53.97 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.5 mt -91.81 7.01 43.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 57.03 39.43 29.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 49' ' ' PRO . 21.2 t -120.22 136.76 25.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.492 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.5 Cg_endo -69.76 132.57 23.62 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.5 t -48.57 -22.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.0 p -69.56 -42.65 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -82.92 -21.62 34.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.31 129.36 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.7 mt -124.11 102.72 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 39' ' ' LYS . 6.5 mp -89.24 128.84 35.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -137.55 123.78 20.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -98.88 144.1 28.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -100.72 114.77 28.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.9 p -67.06 112.05 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.6 t -46.07 -58.34 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -41.48 -42.16 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.2 tpp -116.86 84.61 16.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.83 19.76 78.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -148.09 120.64 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 1.2 pp20? -108.07 155.26 20.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.92 116.74 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.84 116.55 13.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 79' ' ' TYR . 6.3 mt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.47 -34.45 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -70.1 120.76 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -29.34 12.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.11 -4.24 56.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -101.5 141.64 23.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 179.03 4.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.8 mm? -76.31 -34.66 59.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -61.44 -26.22 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -30.68 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 69' ' ' LEU . 63.1 m-85 -96.35 25.49 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m 54.73 41.52 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.0 t -90.48 131.45 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -131.99 -174.59 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.56 140.55 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.03 -37.4 3.78 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 86' ' ' CYS . 0.7 OUTLIER -48.22 161.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 85' ' ' ASP . 88.6 m -105.07 140.95 37.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 HD12 ' A' ' 12' ' ' LEU . 69.7 mt -105.44 122.48 46.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -112.3 114.04 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 42' ' ' LEU . 94.3 t -102.41 97.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 152.43 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.687 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 24.3 p90 -152.09 149.89 29.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.8 t -90.36 148.23 22.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.55 -76.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 151.69 69.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.0 p -56.58 144.48 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -137.72 142.38 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m 51.52 44.55 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.922 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -96.88 156.27 16.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 -89.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -76.87 168.89 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.4 p -103.28 -44.69 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.87 156.96 53.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -94.19 157.46 16.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.9 mp -82.24 132.15 35.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -104.69 139.73 39.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -97.39 94.01 6.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD11 ' A' ' 87' ' ' LEU . 7.7 mt -112.86 160.9 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -105.59 126.71 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.41 117.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -132.92 103.38 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -60.46 128.21 35.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -75.99 131.19 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 69.7 25.56 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -132.57 80.02 63.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.641 2.227 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -42.63 -30.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 22' ' ' ARG . 17.2 ttm105 -82.48 148.1 28.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -103.49 138.73 39.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.2 mt -62.78 142.08 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.72 179.73 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -138.19 122.65 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.3 tppt? -128.08 137.81 52.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.64 ' C ' HD22 ' A' ' 29' ' ' LEU . 54.6 mt-30 -102.46 114.46 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.835 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -127.24 151.28 74.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 123.28 9.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' HB3' HD21 ' A' ' 10' ' ' LEU . 2.6 p30 -44.49 -24.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -66.0 -41.1 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.465 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 2.6 ttp -43.96 120.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 p -69.49 141.41 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.57 -43.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -55.18 -46.51 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -55.69 -53.07 61.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.07 -38.21 52.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.795 ' HG2' HD23 ' A' ' 55' ' ' LEU . 65.8 mttt -69.56 -41.13 76.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.28 -21.46 68.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.04 -45.65 48.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -82.25 -17.79 44.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -62.58 -36.74 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -74.02 -21.68 59.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.23 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 31.4 mt -70.49 -1.11 9.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 35.63 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 49' ' ' PRO . 97.5 t -118.08 138.89 25.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.4 Cg_endo -69.8 130.41 19.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.3 t -47.63 -21.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 t -68.41 -42.6 78.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.73 -18.28 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 50' ' ' VAL . 20.7 mt -72.57 139.4 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -134.5 112.27 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.795 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.6 mm? -92.16 123.58 35.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 p -132.27 119.18 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -98.75 139.71 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.59 109.45 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 t -65.55 145.87 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.5 p -79.4 -22.1 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -74.93 -31.04 61.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpp -126.95 84.55 63.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.876 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.92 24.53 71.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -153.8 132.08 11.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.83 144.93 48.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.77 111.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.54 110.34 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 55' ' ' LEU . 10.8 mt -77.19 99.54 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -93.15 -35.11 13.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -71.06 92.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -69.6 -26.54 64.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.56 30.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.476 ' HG2' ' ND2' ' A' ' 71' ' ' ASN . 73.8 mm-40 -138.0 140.56 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.294 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -68.97 -35.15 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.485 ' C ' ' CD ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -61.85 -35.51 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.0 -11.66 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 69' ' ' LEU . 33.0 m-85 -110.58 17.32 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.3 t 63.62 29.09 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.0 t -82.78 116.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -118.79 168.42 10.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 6.3 p-10 -60.2 137.79 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.2 -30.43 9.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.0 177.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 87.1 m -112.79 160.4 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.442 HD11 HD12 ' A' ' 12' ' ' LEU . 24.8 mt -126.19 120.99 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -108.33 106.68 16.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.5 t -94.49 98.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -125.44 155.81 39.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -143.01 157.23 44.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -108.27 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.46 72.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 143.73 51.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 t 46.58 44.45 13.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -89.73 109.69 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -131.36 42.72 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 54.39 43.09 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.17 80.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -85.1 150.61 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -68.6 -37.94 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.09 120.75 2.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -89.9 148.68 23.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.67 135.24 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.63 148.04 29.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.4 m -101.62 104.31 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD13 HD21 ' A' ' 87' ' ' LEU . 4.0 mt -127.07 160.61 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -106.99 125.56 51.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.2 122.75 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -138.44 115.06 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.9 t -66.8 128.79 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.5 m -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -102.83 -28.55 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -107.84 80.63 1.03 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -43.31 2.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.64 -28.98 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -70.6 102.55 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.0 159.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.495 ' C ' HD12 ' A' ' 25' ' ' LEU . 32.4 mt -84.67 148.31 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 24' ' ' ILE . 5.9 mp -123.31 171.75 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -129.58 122.42 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -128.25 136.03 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 29' ' ' LEU . 43.7 mt-30 -104.42 118.87 37.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -132.49 146.45 61.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.955 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 123.8 10.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -44.64 -23.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.2 t -64.83 -40.88 95.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.492 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.5 ttp -47.95 116.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 p -65.42 141.55 58.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.2 t -38.45 -32.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.85 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 33' ' ' MET . 14.4 mtmm -49.74 -42.58 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.72 -42.66 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' HD13 ' A' ' 55' ' ' LEU . 81.8 mttt -68.71 -42.72 77.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.79 -24.5 66.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 45' ' ' LEU . 12.4 tp -66.88 -57.49 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 45' ' ' LEU . 9.9 mt -74.56 -21.54 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 t -50.01 -39.91 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.05 -19.81 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 42' ' ' LEU . 10.9 mp -75.37 -63.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 10.5 mt -84.54 10.3 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm 51.15 44.84 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 49' ' ' PRO . 89.8 t -118.72 138.64 26.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.77 128.06 15.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 53' ' ' LEU . 21.9 t -44.5 -24.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -70.26 -43.04 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' HG2' ' A' ' 49' ' ' PRO . 97.7 mt-10 -84.4 -3.47 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 50' ' ' VAL . 16.4 mt -87.05 128.24 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.12 103.78 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' HG2' ' A' ' 39' ' ' LYS . 5.0 mp -86.92 137.52 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -145.12 120.61 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -99.9 144.49 28.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -101.11 114.81 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p -51.83 150.0 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.2 p -84.33 -1.2 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -26.54 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.3 tpp -115.69 78.44 6.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.74 31.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.62 -21.34 45.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -111.9 115.85 29.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.69 145.26 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.427 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -100.93 102.52 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' CD ' ' O ' ' A' ' 68' ' ' GLU . 2.2 pp20? -66.23 112.93 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 55' ' ' LEU . 3.9 mt -78.08 113.52 16.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.83 -25.17 13.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -81.25 100.75 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -2.56 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.7 mt -105.23 11.94 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 mm-40 -123.1 142.59 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.51 9.42 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.3 mm? -72.2 -34.03 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.01 -24.6 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -66.99 -16.93 64.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -105.53 20.65 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t 58.77 29.14 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.3 t -80.14 128.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.3 157.25 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -42.89 137.13 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.45 -43.86 1.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.21 170.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 53.9 m -117.77 143.16 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 12' ' ' LEU . 89.0 mt -105.62 126.11 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.59 111.64 23.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.47 126.21 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 91' ' ' TRP . 55.4 ttt180 -148.36 155.12 40.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 49.0 p90 -149.46 148.14 29.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.4 t -88.72 122.04 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.33 72.92 0.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.92 34.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -90.28 149.39 22.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.4 t -40.05 -47.14 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -117.96 103.17 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -115.67 141.53 47.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.01 -43.42 0.95 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -67.79 141.66 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -55.56 -36.76 67.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.85 89.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -108.27 146.44 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 28' ' ' GLN . 2.0 mp -82.1 136.16 35.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 9' ' ' LEU . 1.1 mt -109.43 144.63 37.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.3 m -94.75 109.34 21.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 85' ' ' ASP . 3.6 mt -130.87 164.77 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -108.19 126.78 53.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.86 124.2 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -132.73 98.0 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.95 106.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -62.97 -17.49 62.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.579 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . 9.0 m120 -91.42 -7.33 50.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 13.1 mm100 -131.96 89.45 38.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.9 Cg_endo -69.75 -32.56 18.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.08 -39.15 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -54.68 123.9 14.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -66.89 150.99 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 25' ' ' LEU . 38.9 mt -67.54 151.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -134.33 166.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -131.5 114.83 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.682 ' HD2' HD21 ' A' ' 29' ' ' LEU . 6.0 tmtm? -126.9 136.91 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' C ' HD22 ' A' ' 29' ' ' LEU . 61.4 mt-30 -96.0 124.42 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.682 HD21 ' HD2' ' A' ' 27' ' ' LYS . 2.5 mm? -128.51 144.16 51.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.0 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -43.21 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' PRO . 15.7 t -66.73 -42.92 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -43.36 127.42 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' LYS . 40.2 p -74.19 135.86 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.89 -36.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 17.4 tt0 -59.82 -43.13 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 17.6 mmmt -58.99 -51.52 69.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 t -50.35 -41.33 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.82 ' CG ' HD23 ' A' ' 55' ' ' LEU . 76.0 mttt -70.9 -39.25 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.46 -26.61 74.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.453 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.79 -57.56 11.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' LEU . 8.7 mt -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 t -43.39 -47.58 6.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -69.28 -25.46 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' LEU . 5.8 mp -77.76 -62.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.68 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 29.8 mt -77.87 7.42 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 51.2 37.12 17.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 49' ' ' PRO . 47.1 t -113.05 137.52 21.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.1 Cg_endo -69.81 135.66 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -57.83 -29.21 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -65.29 -17.98 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -106.12 -29.15 10.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.26 122.53 16.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.1 mt -114.58 108.49 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 39' ' ' LYS . 3.8 mm? -89.05 128.18 35.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 88' ' ' LEU . 9.2 p -138.14 116.23 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -95.7 141.75 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.26 125.51 48.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -70.42 120.08 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 m -61.97 -28.65 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -82.78 -20.38 35.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 tpt -130.52 84.52 58.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.43 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.31 66.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -158.63 118.79 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 17.0 mp0 -115.62 151.34 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.5 mp -113.72 106.11 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.61 110.0 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 ' CG ' ' A' ' 79' ' ' TYR . 13.8 mt -73.21 89.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 14.3 pt-20 -73.34 -50.46 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -70.07 113.96 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -82.98 -43.65 16.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -57.92 -20.6 38.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.443 ' HG2' ' CG ' ' A' ' 71' ' ' ASN . 42.0 mm-40 -81.87 134.63 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.23 17.04 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.5 mm? -64.44 -33.33 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -65.21 -25.43 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.7 -14.26 62.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.712 ' CG ' HD22 ' A' ' 69' ' ' LEU . 49.5 m-85 -109.01 11.76 25.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m 62.39 49.95 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 50.2 t -102.81 120.73 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.72 160.42 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -46.9 131.98 11.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.6 8.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 55.3 m-20 -62.03 168.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 62.3 m -115.2 131.41 56.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 87' ' ' LEU . 9.9 mt -95.11 130.13 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 56' ' ' SER . 7.7 mt -119.06 111.28 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.3 t -96.13 120.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -132.78 173.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.68 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 9.9 p90 -174.7 140.56 0.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.7 t -93.32 91.31 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.11 83.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.82 5.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.616 2.211 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -57.83 -48.7 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -138.74 162.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -128.01 104.01 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -127.29 115.43 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.85 -40.99 2.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -57.69 141.49 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -41.62 153.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.46 121.76 0.87 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -107.42 164.17 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -88.98 134.18 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.88 142.55 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 m -96.69 99.9 11.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 87' ' ' LEU . 5.4 mt -117.23 167.25 11.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -116.69 126.74 53.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mp -94.03 115.01 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 16' ' ' CYS . 5.4 tmtm? -129.56 130.96 46.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 86.1 m -81.59 104.41 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 t -54.39 -52.88 60.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -58.59 -11.36 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 24.9 mm100 -126.46 96.95 34.88 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.2 Cg_endo -69.77 -34.72 13.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -74.6 -40.96 61.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -46.43 104.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.71 167.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 25' ' ' LEU . 33.9 mt -108.02 144.01 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.846 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -119.54 176.94 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.06 125.85 40.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -129.4 144.24 51.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.82 ' C ' HD22 ' A' ' 29' ' ' LEU . 57.1 mt-30 -113.7 119.8 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -135.92 148.25 64.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.4 Cg_endo -69.79 124.23 10.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -43.98 -22.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' PRO . 46.9 t -67.22 -41.78 85.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttp -46.36 116.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.5 p -62.5 146.54 51.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.25 -33.62 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.1 -48.0 83.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -58.7 -48.38 81.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.16 -38.3 60.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HG2' HD13 ' A' ' 55' ' ' LEU . 91.0 mttt -67.6 -44.09 78.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.68 -25.1 67.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.31 -50.58 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 45' ' ' LEU . 43.6 mt -77.78 -29.96 51.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -46.23 -41.63 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -73.04 -26.5 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD22 HD23 ' A' ' 42' ' ' LEU . 10.8 mp -75.53 -61.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.6 mt -83.5 7.94 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 52.63 28.82 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 49' ' ' PRO . 74.2 t -100.64 138.22 20.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 0.0 111.17 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.74 128.01 15.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -46.51 -27.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -62.51 -45.99 90.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -79.89 -40.73 27.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -44.29 104.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.0 mt -100.76 104.18 15.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.0 mp -89.66 133.52 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 p -144.7 118.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -96.39 144.58 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -105.09 123.12 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -73.19 121.38 20.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 95.3 p -58.36 -48.95 78.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -19.23 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ttm -133.19 83.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.541 0.686 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.68 18.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.83 30.86 6.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -157.32 127.2 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.46 148.59 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.8 mp -114.15 122.57 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.39 119.96 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' A' ' 79' ' ' TYR . 13.0 mt -81.92 89.26 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.69 -33.03 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -84.07 116.65 22.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 -18.96 21.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.36 2.9 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -109.54 142.16 25.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 179.58 3.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 33' ' ' MET . 3.1 mm? -74.64 -31.07 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -66.19 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -54.42 -34.62 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.762 ' CD2' HD22 ' A' ' 69' ' ' LEU . 77.0 m-85 -91.12 16.12 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 m 60.8 34.85 19.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.19 133.88 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.95 154.85 47.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 8.9 p-10 -41.25 142.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.25 -41.74 2.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.6 m -118.5 147.02 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.401 HD11 HD12 ' A' ' 12' ' ' LEU . 29.3 mt -109.25 118.05 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -101.63 108.46 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' CG2' HG23 ' A' ' 14' ' ' ILE . 92.5 t -91.34 123.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -135.02 170.78 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.508 ' CB ' HG11 ' A' ' 48' ' ' VAL . 7.8 p90 -175.02 144.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -90.19 118.2 29.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.57 -80.91 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -38.53 7.53 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 p 40.74 44.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.8 m -69.92 101.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -144.37 112.53 6.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.926 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -115.17 143.34 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.24 148.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -97.99 85.23 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 p -90.3 43.43 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.34 153.28 8.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -96.84 152.92 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mp -88.17 134.89 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -105.46 131.56 52.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -87.55 100.57 12.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.47 173.44 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 64.6 mttt -113.41 132.38 55.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 HG23 ' A' ' 89' ' ' VAL . 5.4 mp -103.06 124.96 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -147.98 133.71 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.3 t -82.65 117.28 22.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.9 m -51.76 -58.0 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -54.31 -14.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.52 84.88 36.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' ARG . 4.9 tp10 -63.55 -55.29 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 15.8 mtp85 -38.28 104.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -46.14 145.88 1.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 13' ' ' LYS . 63.8 mt -74.54 128.68 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -98.0 -178.53 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -146.43 113.92 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -127.34 156.27 42.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.813 ' C ' HD22 ' A' ' 29' ' ' LEU . 49.7 mt-30 -114.33 124.05 51.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 28' ' ' GLN . 2.5 mm? -134.37 143.92 48.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.2 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 32' ' ' SER . 16.1 p30 -40.73 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -63.7 -45.12 91.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.6 ttp -44.36 112.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -62.07 144.31 55.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 74' ' ' GLN . 85.1 t -43.0 -41.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -55.06 -46.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -55.34 -54.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -52.62 -43.02 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HG2' HD23 ' A' ' 55' ' ' LEU . 93.4 mttt -69.58 -36.57 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.18 -34.29 75.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.4 -39.03 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' LEU . 36.2 mt -89.01 -35.2 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.7 t -39.11 -39.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -71.97 -37.96 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.0 tp -74.41 -57.73 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 mt -74.66 4.52 6.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt 48.71 25.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 46' ' ' LEU . 84.1 t -107.84 138.69 20.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 111.15 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.77 138.78 38.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -55.1 -29.15 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 t -63.01 -42.61 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.22 -28.26 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 62.0 mt -66.78 142.66 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.65 115.83 9.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.8 mm? -90.94 129.28 36.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 p -132.76 119.64 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.68 ' CD2' HG22 ' A' ' 81' ' ' VAL . 3.1 p90 -99.5 146.62 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -117.87 115.98 26.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 1.0 OUTLIER -57.78 175.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -100.12 -23.82 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' CG ' ' SD ' ' A' ' 62' ' ' MET . 0.2 OUTLIER -89.82 -41.12 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.488 ' SD ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -107.39 71.14 0.3 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 110.823 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 61' ' ' LYS . 54.0 Cg_endo -69.76 146.41 60.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.65 43.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -104.2 83.45 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -78.99 137.56 37.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.577 HD13 ' CE1' ' A' ' 57' ' ' TYR . 5.2 mp -97.86 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.13 110.7 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.644 HD22 ' CD2' ' A' ' 79' ' ' TYR . 7.2 mt -76.96 110.9 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.53 -21.16 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.488 ' ND2' ' HG2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -85.06 96.65 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -24.36 63.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.2 mt -88.4 35.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 78.2 mm-40 -144.22 136.49 13.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.8 26.42 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -66.09 -36.58 83.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 77' ' ' GLN . 19.7 tp60 -61.96 -33.45 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.36 -25.01 61.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.644 ' CD2' HD22 ' A' ' 69' ' ' LEU . 79.9 m-85 -96.79 24.56 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 35.38 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 57' ' ' TYR . 86.6 t -93.98 120.28 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.97 161.3 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -45.19 132.87 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.13 1.05 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.68 -177.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.6 m -125.1 148.36 48.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 93.5 mt -108.34 132.9 53.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -120.07 107.34 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 14' ' ' ILE . 47.3 t -86.73 100.54 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -123.82 151.7 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -142.52 166.95 23.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -118.11 161.76 19.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.04 70.02 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 p -168.15 124.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.2 p -131.62 118.62 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -82.6 86.23 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 m -150.49 144.15 25.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.89 -97.65 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 t -123.51 110.64 15.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.385 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -118.25 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.31 153.6 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -151.65 144.58 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.59 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.9 mm? -67.91 141.67 56.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 31' ' ' ASP . 6.6 mt -111.44 113.42 25.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 m -71.3 97.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -119.01 178.56 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -127.17 127.59 44.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 4.1 mp -96.43 135.6 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -160.28 130.21 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.575 ' SG ' ' CZ3' ' A' ' 91' ' ' TRP . 1.8 t -77.61 117.21 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 p -59.3 -23.44 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.48 91.9 35.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -45.3 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.44 -48.94 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -42.59 109.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -56.49 140.27 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -68.46 144.82 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.8 172.46 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -130.08 120.18 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HB3' HD21 ' A' ' 29' ' ' LEU . 1.1 mmmm -133.41 153.29 51.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.936 ' C ' HD22 ' A' ' 29' ' ' LEU . 6.2 mt-30 -116.44 122.93 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.936 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.4 mm? -135.18 141.98 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.446 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.8 124.76 11.38 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.755 ' HB3' HD11 ' A' ' 10' ' ' LEU . 11.6 p-10 -45.43 -25.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -62.67 -39.68 94.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ttp -49.41 130.96 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.2 p -76.4 143.09 40.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 69' ' ' LEU . 45.3 t -42.27 -40.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.43 -46.54 80.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -53.23 -54.22 39.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.17 -38.16 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.853 ' HG2' HD23 ' A' ' 55' ' ' LEU . 64.0 mttt -66.74 -38.96 87.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.34 -41.95 66.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.21 -42.68 61.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' ARG . 15.4 mt -84.91 -37.29 20.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 53' ' ' LEU . 4.9 t -33.86 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.5 mmt180 -81.41 -50.04 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.4 tp -57.47 -45.4 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.784 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mt -96.87 9.02 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.23 45.2 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 46' ' ' LEU . 92.9 t -122.88 138.77 30.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.0 Cg_endo -69.8 131.01 20.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 53' ' ' LEU . 56.1 t -47.12 -25.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 p -68.46 -40.82 80.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' TRP . 6.2 mm-40 -92.3 5.6 49.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.62 ' HG ' HG12 ' A' ' 48' ' ' VAL . 30.8 mt -98.37 91.21 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -88.94 108.46 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' HG2' ' A' ' 39' ' ' LYS . 3.2 mm? -87.06 139.95 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 p -145.86 119.82 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -98.03 140.46 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -102.81 125.21 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.1 t -66.89 133.68 50.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -63.76 -48.51 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 62' ' ' MET . 0.0 OUTLIER -63.63 -18.24 63.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.47 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 4.2 ttm -133.85 85.94 39.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.89 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.98 67.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 -39.14 2.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -80.56 121.37 25.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -116.74 144.36 44.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 67' ' ' ILE . 4.9 mp -107.71 116.94 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.7 113.99 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 79' ' ' TYR . 30.9 mt -74.44 101.63 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.89 -55.46 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.95 133.29 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -98.99 -30.06 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -85.12 34.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -129.92 138.97 34.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.18 66.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.67 -35.01 54.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -58.24 -33.81 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.32 -40.29 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 69' ' ' LEU . 95.9 m-85 -86.85 25.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.4 m 54.28 45.14 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.6 t -99.59 125.1 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -136.72 157.56 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -39.61 142.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.69 -43.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.45 177.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.6 m -118.72 148.79 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.4 mt -112.41 126.63 55.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.6 mt -118.55 123.6 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.17 122.24 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -134.88 146.99 49.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.575 ' CZ3' ' SG ' ' A' ' 16' ' ' CYS . 19.5 p90 -149.5 139.2 21.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.9 t -104.29 147.85 27.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.2 83.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.1 Cg_endo -69.77 -1.56 8.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' PRO . 15.1 m -35.62 96.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' PRO . 89.3 p -141.13 126.26 18.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 54.6 p -153.35 143.16 22.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.8 m -37.73 -55.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 81.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t 61.61 40.18 13.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -107.45 83.83 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.95 116.68 0.85 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -110.12 151.26 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -87.56 135.05 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' CG ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -103.38 140.44 37.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -96.02 104.63 16.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 85' ' ' ASP . 8.6 mt -124.21 167.75 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -116.35 131.17 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.551 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.9 mp -95.43 119.42 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -124.66 124.99 43.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -76.37 99.12 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.2 m -49.36 -53.49 22.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -59.91 -29.64 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 13.8 mm-40 -107.47 93.18 9.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.2 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.246 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -64.73 -34.47 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 23' ' ' GLN . 2.3 tpm_? -47.0 131.71 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' HG2' ' NH1' ' A' ' 22' ' ' ARG . 10.8 pt20 -67.83 162.89 23.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 25' ' ' LEU . 16.1 mt -102.18 142.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.82 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -116.49 177.13 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -136.94 121.41 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 15.1 tptm -132.22 149.1 52.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.748 ' C ' HD22 ' A' ' 29' ' ' LEU . 43.4 mt-30 -112.52 123.49 50.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -133.61 145.9 58.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.9 13.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' CG ' HD11 ' A' ' 10' ' ' LEU . 15.7 t0 -49.89 -23.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -67.49 -33.4 75.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.471 ' SD ' HG22 ' A' ' 38' ' ' VAL . 2.0 ttt -46.0 150.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -93.39 134.7 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.9 t -39.34 -38.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -56.53 -53.44 57.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.56 -54.72 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG22 ' SD ' ' A' ' 33' ' ' MET . 63.9 t -49.16 -35.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.05 -35.49 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.09 -21.95 78.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -73.4 -41.04 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 HD12 ' A' ' 45' ' ' LEU . 16.9 mt -88.6 -19.76 25.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -56.12 -28.74 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -89.65 -16.86 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD12 HD23 ' A' ' 42' ' ' LEU . 18.1 mt -81.1 -64.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.68 4.63 21.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt 57.38 39.89 27.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 49' ' ' PRO . 33.0 t -115.16 137.03 22.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.2 Cg_endo -69.73 132.6 23.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.406 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 53' ' ' LEU . 24.9 t -48.36 -21.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -73.67 -37.58 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.91 -4.49 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' VAL . 14.5 mt -87.15 115.92 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.11 102.82 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 5.8 mp -86.94 137.05 32.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -140.51 117.85 11.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.92 131.38 42.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -94.58 118.9 32.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -75.4 132.57 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.5 t -65.93 -49.41 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -47.45 -37.99 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 tpt -118.76 82.6 20.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.59 40.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.99 29.65 17.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -161.65 117.42 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.78 152.01 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.57 112.32 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.14 111.73 9.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.5 mt -74.65 107.27 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -89.94 -31.69 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.467 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 8.8 t-20 -85.38 145.54 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -113.71 -46.76 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -60.79 -15.34 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.467 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 18.6 mm-40 -84.61 138.6 38.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.64 0.733 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.287 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.7 mm? -71.64 -35.65 70.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.32 -24.84 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.73 -33.89 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD1' HD23 ' A' ' 69' ' ' LEU . 64.7 m-85 -86.75 11.67 12.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 m 62.78 38.3 11.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -86.63 123.16 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -124.39 157.03 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -51.5 138.22 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.87 -23.21 26.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' HB2' HD22 ' A' ' 12' ' ' LEU . 58.6 m-20 -64.66 176.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.9 m -123.33 124.82 43.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.58 116.82 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mt -98.15 112.53 24.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.551 ' CG2' HG23 ' A' ' 14' ' ' ILE . 45.4 t -95.08 95.98 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.38 139.44 51.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.1 p90 -143.08 144.24 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -86.32 105.89 16.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.06 82.98 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -31.25 20.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.375 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 51.1 m -46.63 116.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 t -76.78 166.8 22.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.463 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -65.44 174.71 2.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -86.56 41.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.59 178.52 14.57 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -101.57 41.07 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.61 153.28 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.24 109.71 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -107.48 161.83 14.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 28' ' ' GLN . 1.9 mp -83.91 142.86 30.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 31' ' ' ASP . 1.6 mt -117.86 134.15 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -88.08 95.11 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 85' ' ' ASP . 12.6 mt -116.81 158.68 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -107.08 122.7 46.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 116.75 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -125.57 125.23 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 m -71.73 147.01 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.7 t -87.32 128.93 35.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.3 t30 63.26 32.09 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -134.29 90.39 25.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -46.51 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.389 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.01 -32.23 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -70.72 96.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.61 149.81 24.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD13 ' A' ' 25' ' ' LEU . 62.9 mt -79.62 134.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -109.96 174.5 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -133.4 118.35 18.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.7 tttp -128.32 150.07 50.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.873 ' C ' HD22 ' A' ' 29' ' ' LEU . 63.1 mt-30 -114.96 114.73 25.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -127.22 147.72 63.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' SER . 53.9 Cg_endo -69.72 119.21 6.19 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CG ' HD11 ' A' ' 10' ' ' LEU . 13.8 t0 -42.36 -23.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PRO . 6.8 t -65.61 -44.22 87.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.1 ttp -41.58 137.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 p -82.52 141.5 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.2 t -42.79 -35.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -56.02 -56.74 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -50.17 -54.53 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -46.23 -48.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 53' ' ' LEU . 42.8 mttt -66.8 -43.36 84.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.0 -25.21 67.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.628 HD21 ' HE2' ' A' ' 27' ' ' LYS . 4.3 tp -76.24 -35.36 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LEU . 68.3 mt -84.06 -36.07 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 4.2 t -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.7 mmt-85 -71.76 -33.31 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.8 mp -72.75 -59.43 2.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.054 ' O ' HG23 ' A' ' 48' ' ' VAL . 19.2 mt -88.46 23.11 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 32.76 51.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 46' ' ' LEU . 89.4 t -129.08 139.13 34.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.651 0.738 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.683 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.9 Cg_endo -69.79 134.34 27.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.19 -24.53 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -64.33 -21.3 66.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -108.25 -31.68 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' HG ' HG12 ' A' ' 48' ' ' VAL . 64.8 mt -61.82 107.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 mt -110.67 115.06 28.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.2 139.87 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 p -145.61 118.97 8.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 2.7 p90 -95.36 141.44 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -103.78 104.9 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.6 p -46.62 122.35 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.0 m -56.27 -42.82 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' MET . 36.8 pttt -63.22 -43.27 98.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 9.5 ttt -115.65 82.0 9.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.12 67.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.49 -36.58 3.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -93.27 88.72 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.63 144.82 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.561 HD13 ' CZ ' ' A' ' 57' ' ' TYR . 5.3 mp -104.88 119.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -77.12 117.61 18.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.3 mt -86.82 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -79.41 -40.54 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.56 100.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.14 -28.04 57.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.32 33.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -136.03 138.24 27.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 152.06 69.01 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.1 mm? -54.92 -29.9 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.496 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 4.4 pp0? -63.92 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -53.62 -36.08 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.693 ' CD1' HD22 ' A' ' 69' ' ' LEU . 77.1 m-85 -87.75 17.66 4.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m 57.85 42.35 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.7 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.04 161.91 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.03 146.79 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 102.95 -39.77 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' HB3' HD22 ' A' ' 12' ' ' LEU . 7.5 t70 -53.48 176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 8.1 m -117.1 141.14 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.1 mt -101.24 116.92 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.49 118.26 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.1 t -103.38 104.57 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -127.93 136.13 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 45.8 p90 -130.08 156.03 45.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.9 t -104.34 155.92 18.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -151.86 84.18 0.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 161.2 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t -105.62 104.72 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -76.21 146.47 39.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -131.77 164.35 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -50.64 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.56 38.64 93.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -64.69 -48.26 75.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.29 110.68 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 13.9 pt20 -87.68 137.57 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 28' ' ' GLN . 1.8 mp -73.82 131.49 41.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -102.88 148.18 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -97.7 113.58 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.868 HD22 ' OD1' ' A' ' 85' ' ' ASP . 1.9 mt -130.89 160.13 35.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HZ2' HG22 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -106.27 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.03 121.03 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.676 ' HB2' HD12 ' A' ' 24' ' ' ILE . 25.6 tttp -135.4 110.36 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m -66.52 134.54 52.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -78.59 136.22 37.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 60.28 25.16 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -125.19 77.19 67.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.87 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -42.08 -41.64 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' NH1' HD21 ' A' ' 46' ' ' LEU . 17.2 ttt180 -81.23 166.17 20.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -118.02 165.74 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 15' ' ' LYS . 21.2 mm -70.64 138.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.26 156.35 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -119.33 120.41 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 29' ' ' LEU . 2.1 tmtp? -133.68 131.31 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.594 ' O ' HD13 ' A' ' 29' ' ' LEU . 52.6 mt-30 -92.65 128.5 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 28' ' ' GLN . 2.7 mm? -130.79 141.75 43.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.594 0.711 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.52 14.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 8' ' ' GLN . 9.3 p-10 -45.74 -25.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t -67.46 -38.37 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.5 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ttt -41.44 115.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 45.9 p -68.5 132.48 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' THR . 15.3 t -34.93 -34.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 22.7 tt0 -65.08 -46.81 79.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' THR . 15.0 mmmt -53.97 -46.84 71.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.79 -59.6 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.813 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.5 mptt -47.08 -40.06 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.37 92.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.63 -61.28 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' ARG . 6.9 mt -72.41 -40.53 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' LEU . 4.1 t -34.02 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' LEU . 13.4 mmp_? -84.49 -51.62 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 45' ' ' LEU . 6.5 tp -53.92 -46.56 71.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' NH1' ' A' ' 22' ' ' ARG . 10.2 mt -94.91 1.21 55.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 54.02 37.83 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 49' ' ' PRO . 98.4 t -110.95 138.93 21.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 48' ' ' VAL . 54.3 Cg_endo -69.7 133.41 25.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.254 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.813 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.1 t -51.79 -19.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -72.47 -31.77 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -94.87 -23.4 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 13.1 mt -70.75 136.17 48.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.0 mt -143.85 110.49 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG22 ' A' ' 89' ' ' VAL . 2.4 mm? -88.72 138.25 31.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 p -140.28 120.54 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -98.71 142.35 30.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.77 121.76 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 p -66.63 100.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' SER . 65.5 m -35.31 -56.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -49.13 -49.51 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.24 84.1 13.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 160.31 50.15 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.31 -15.06 47.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -114.42 86.28 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -82.29 145.32 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 4.9 mp -104.77 111.73 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -68.78 113.44 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 79' ' ' TYR . 23.4 mt -77.78 106.34 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.62 -62.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' A' ' 74' ' ' GLN . 7.6 t-20 -47.85 127.12 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' HB3' ' CB ' ' A' ' 36' ' ' GLN . 0.7 OUTLIER -98.54 -34.8 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.88 -6.92 50.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.483 ' HG3' ' ND2' ' A' ' 71' ' ' ASN . 28.9 mm-40 -99.87 136.09 20.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 179.52 3.67 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.6 mm? -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.29 -26.82 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.79 -30.85 71.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CD2' HD23 ' A' ' 69' ' ' LEU . 79.3 m-85 -91.92 11.87 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.0 m 62.29 44.03 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.518 HG13 ' OD2' ' A' ' 85' ' ' ASP . 87.8 t -100.21 135.74 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.88 166.64 24.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -53.19 138.04 32.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.01 -42.35 1.94 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.868 ' OD1' HD22 ' A' ' 12' ' ' LEU . 1.4 p30 -60.79 169.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.2 m -105.73 162.12 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 12' ' ' LEU . 11.8 mt -122.89 119.99 32.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.18 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 HD11 ' A' ' 55' ' ' LEU . 86.5 t -100.26 105.19 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -131.08 134.83 46.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -128.21 141.89 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.404 ' C ' ' HD3' ' A' ' 94' ' ' PRO . 3.7 t -104.46 104.97 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.42 70.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.73 105.73 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -51.27 134.95 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -47.07 153.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -59.96 -42.82 94.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -67.76 -57.86 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.17 -39.16 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -114.09 152.72 30.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -106.99 -179.97 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.42 157.51 27.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -79.17 137.29 37.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 28' ' ' GLN . 1.5 mm? -63.36 135.82 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.55 118.75 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -77.53 108.76 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD22 ' CG ' ' A' ' 85' ' ' ASP . 11.8 mt -126.41 153.92 44.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -104.78 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.52 122.75 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -135.18 105.3 6.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 m -67.81 128.49 36.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 t -73.52 -36.45 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.569 ' OD1' ' CH2' ' A' ' 91' ' ' TRP . 1.9 p30 -73.43 -10.54 59.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -128.63 83.6 65.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -30.69 22.25 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.745 2.296 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.68 -45.0 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -50.43 124.55 10.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.45 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.857 ' C ' HD13 ' A' ' 25' ' ' LEU . 97.3 mt -104.85 138.76 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.857 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -110.86 177.26 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.17 142.53 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' HD21 ' A' ' 29' ' ' LEU . 12.8 mmtm -149.42 143.84 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.782 ' C ' HD22 ' A' ' 29' ' ' LEU . 9.3 mt-30 -117.72 114.53 23.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.787 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -129.44 143.69 49.92 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' N ' HD13 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.73 134.58 28.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -52.99 -26.4 15.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t -66.1 -26.29 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.486 ' SD ' HG22 ' A' ' 38' ' ' VAL . 3.0 ttt -54.05 140.12 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 14.2 p -88.4 133.57 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 43.9 t -35.3 -44.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -54.47 -51.28 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -53.74 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.486 HG22 ' SD ' ' A' ' 33' ' ' MET . 86.2 t -54.18 -51.42 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 55' ' ' LEU . 96.4 mttt -56.11 -39.01 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.56 -36.84 92.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.1 tp -58.04 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.627 HD23 HD22 ' A' ' 45' ' ' LEU . 8.0 mt -78.21 -29.08 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -46.93 -29.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.43 -25.14 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HD23 ' A' ' 42' ' ' LEU . 10.2 mp -69.98 -58.14 4.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ3' ' A' ' 91' ' ' TRP . 12.1 mt -91.82 2.27 56.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.74 46.83 16.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG13 ' HD2' ' A' ' 49' ' ' PRO . 99.5 t -115.92 138.96 24.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.682 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.6 Cg_endo -69.8 125.12 11.76 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 39' ' ' LYS . 24.2 t -49.63 -28.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -62.19 -34.97 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.57 -42.74 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HG ' HG12 ' A' ' 48' ' ' VAL . 13.9 mt -39.2 110.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.0 mt -102.25 102.96 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 HD13 ' HG2' ' A' ' 39' ' ' LYS . 7.7 mp -94.87 131.27 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -142.73 120.15 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.1 p90 -95.58 141.29 29.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -97.04 119.17 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.0 m -81.36 127.34 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -53.23 -60.16 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -41.65 -41.85 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 mmt -117.6 84.81 19.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.846 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 135.4 30.18 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.48 -15.94 58.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -98.54 87.82 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -78.25 150.15 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.45 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 3.4 mp -115.27 101.98 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.6 109.82 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.4 mt -74.82 112.86 11.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 16.7 pt-20 -100.14 -50.05 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 74' ' ' GLN . 4.1 t-20 -61.16 113.2 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -15.88 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.56 15.31 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HG3' ' CG ' ' A' ' 71' ' ' ASN . 17.6 mm-40 -119.73 138.52 26.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 161.8 44.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 76' ' ' LEU . 3.6 mm? -60.05 -32.52 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' CD ' ' C ' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -61.02 -34.24 74.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.04 -25.18 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -98.84 21.72 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 t 52.9 33.71 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.72 HG13 ' OD2' ' A' ' 85' ' ' ASP . 94.3 t -85.86 135.19 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.66 152.07 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -39.4 140.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.94 -51.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.72 ' OD2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -46.4 167.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.82 146.0 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 12' ' ' LEU . 16.7 mt -107.01 116.67 32.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 mt -105.61 107.04 17.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.9 t -88.87 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -162.2 178.4 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.569 ' CH2' ' OD1' ' A' ' 18' ' ' ASN . 38.6 p90 -171.65 169.33 6.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -146.43 160.69 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.98 127.14 3.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.52 10.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.378 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.3 p -41.27 128.87 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t -149.05 124.31 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -45.06 -51.93 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -47.66 155.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.81 62.49 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -125.51 99.78 6.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -91.64 95.94 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 155.96 1.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -151.11 163.0 39.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 10' ' ' LEU . 2.0 mp -89.75 140.75 29.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 31' ' ' ASP . 1.2 mt -108.99 141.73 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 m -101.0 103.2 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 87' ' ' LEU . 6.0 mt -123.85 168.97 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mttt -108.59 138.49 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -110.16 131.42 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -149.71 122.99 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.5 m -75.42 107.8 7.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.0 m -56.83 -41.91 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -67.98 -9.28 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.0 mm100 -128.79 93.74 36.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -69.61 -48.58 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -44.62 116.44 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -61.52 156.22 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.2 mt -80.02 143.11 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.03 -176.46 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -144.92 121.48 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -120.69 152.81 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.707 ' C ' HD22 ' A' ' 29' ' ' LEU . 35.0 mt-30 -122.53 114.13 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -129.42 150.87 76.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 119.34 6.3 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB3' HD21 ' A' ' 10' ' ' LEU . 7.9 p-10 -46.6 -20.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -67.44 -39.72 85.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 37' ' ' LYS . 2.3 ttp -48.81 136.17 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' VAL . 11.4 p -77.51 141.86 39.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 74' ' ' GLN . 86.4 t -36.92 -48.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.62 -52.59 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 33' ' ' MET . 6.9 mmtp -54.1 -43.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 76' ' ' LEU . 17.9 t -60.52 -38.07 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HZ1' ' HB2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -71.24 -51.83 22.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.38 -15.67 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.92 -43.21 65.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 64.7 mt -88.62 -37.48 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' LEU . 1.9 t -33.92 -48.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -65.44 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 tp -60.75 -53.95 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.838 HD22 ' CH2' ' A' ' 91' ' ' TRP . 16.7 mt -87.97 8.21 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 48.3 28.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 46' ' ' LEU . 95.3 t -103.83 136.86 19.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 48' ' ' VAL . 53.7 Cg_endo -69.79 138.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.8 t -58.64 -27.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -65.24 -21.42 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -109.06 -39.54 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' HG12 ' A' ' 48' ' ' VAL . 17.0 mt -38.82 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.91 97.88 10.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' A' ' 69' ' ' LEU . 7.8 mp -94.07 139.04 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -143.37 124.72 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 67' ' ' ILE . 3.0 p90 -104.11 146.99 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.24 124.92 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -77.48 154.86 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 t -78.34 -24.51 46.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' MET . 10.1 ptpp? -73.59 -42.23 61.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.936 ' HE3' HD11 ' A' ' 67' ' ' ILE . 6.9 ptt? -112.44 82.86 4.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.32 64.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.6 63.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -151.04 120.17 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 150.86 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.936 HD11 ' HE3' ' A' ' 62' ' ' MET . 4.1 mp -110.88 108.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -68.09 115.06 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 55' ' ' LEU . 2.3 mt -82.34 113.37 20.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.54 -9.81 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.92 118.53 28.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -21.79 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.56 30.67 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 35' ' ' VAL . 89.7 mm-40 -136.84 135.89 20.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD21 HG21 ' A' ' 38' ' ' VAL . 3.1 mm? -67.89 -33.61 75.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -60.27 -33.6 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -57.62 -30.89 65.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HD23 ' A' ' 69' ' ' LEU . 48.9 m-85 -93.04 22.81 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m 51.74 25.27 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.3 t -76.22 117.62 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.5 163.47 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 83' ' ' ASN . 11.0 t-20 -54.65 127.95 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.61 -39.68 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.65 -177.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.2 m -121.41 150.2 41.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 12' ' ' LEU . 90.3 mt -118.5 114.33 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.47 110.17 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.56 131.6 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -157.35 147.32 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.838 ' CH2' HD22 ' A' ' 46' ' ' LEU . 41.7 p90 -144.34 162.24 36.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.7 t -99.68 100.36 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.06 69.15 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.72 23.66 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.4 t -75.29 144.91 42.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -136.09 117.21 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.968 . . . . . . . . 0 0 . 1 stop_ save_